Mechlorethamine hydrochloride - ≥98% , DNA inhibitor, CAS No.55-86-7, DNA inhibitor

Name: Mechlorethamine hydrochloride - ≥98% , DNA inhibitor, CAS No.55-86-7, DNA inhibitor
Brand: Aladdin Scientific
SKU: M113888
Availability: InStock

CAS: 55-86-7 Cat. No.: M113888 Molecular Weight: 192.51 EC Number: 200-246-0 PubChem CID: 5935

2 Citations COA

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Mechlorethamine hydrochloride - ≥98% CAS No(55-86-7) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Desiccated,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥98%

Storage

Desiccated, Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Mechanism of action

DNA inhibitor

Purity

≥98%

Names and Identifiers

Pubchem Sid	504750963
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504750963
Canonical Smiles	CN(CCCl)CCCl.Cl
IUPAC Name	2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride
InChIKey	QZIQJVCYUQZDIR-UHFFFAOYSA-N
INCHI	1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H
Isomeric SMILES	CN(CCCl)CCCl.Cl
WGK Germany	3
RTECS	IA2100000
PubChem CID	5935
UN Number	2811
Packing Group	I
Molecular Weight	192.51

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Nitrogen mustard compounds

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Nitrogen mustard compounds
Intermediate Tree Nodes	Not available
Direct Parent	Nitrogen mustard compounds
Alternative Parents	Trialkylamines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrogen mustard - Tertiary aliphatic amine - Tertiary amine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
External Descriptors	hydrochloride
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HBB Tbio Hemoglobin beta chain (329 Activities)

Discover Target: HBB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
I2209038	Certificate of Analysis	Jun 11, 2026	M113888
D2227143	Certificate of Analysis	Feb 04, 2026	M113888
D2227149	Certificate of Analysis	Feb 04, 2026	M113888
D2227150	Certificate of Analysis	Feb 04, 2026	M113888
B2211350	Certificate of Analysis	Oct 30, 2025	M113888
B2211356	Certificate of Analysis	Oct 30, 2025	M113888
D2126285	Certificate of Analysis	Feb 08, 2025	M113888
D2126286	Certificate of Analysis	Feb 07, 2025	M113888
C2408560	Certificate of Analysis	Mar 13, 2024	M113888
C2408561	Certificate of Analysis	Mar 13, 2024	M113888
C2408562	Certificate of Analysis	Mar 13, 2024	M113888
C2408563	Certificate of Analysis	Mar 13, 2024	M113888
C2408564	Certificate of Analysis	Mar 13, 2024	M113888
C2408593	Certificate of Analysis	Mar 13, 2024	M113888
B2211354	Certificate of Analysis	Feb 24, 2022	M113888
G2504048	Certificate of Analysis	Feb 24, 2022	M113888
J2531070	Certificate of Analysis	Feb 15, 2022	M113888
D2227142	Certificate of Analysis	Jan 17, 2022	M113888

Sensitivity	Hygroscopic.
Melt Point(°C)	108-111°C
Molecular Weight	192.500 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	191.004 Da
Monoisotopic Mass	191.004 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	43.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2