N-Boc-n,n-bis(2-bromoethyl)amine - ≥97% , CAS No.159635-50-4

CAS: 159635-50-4 Cat. No.: N181830 Molecular Weight: 331
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
SCHEMBL1912721 | DTXSID50597556 | tert-butyl bis(2-bromoethyl)carbamate | MFCD11519276 | AS-18133 | A3530 | tert-butylbis(2-bromoethyl)carbamate | N-Boc-N,N-bis(2-bromoethyl)amine | FT-0604318 | AKOS015920157 | tert-butyl N,N-bis(2-bromoethyl)carbamate |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
N181830-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$58.90

$88.90
Save $30.00 (33.75%)
1g
N181830-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$174.90

$262.90
Save $88.00 (33.47%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
SCHEMBL1912721 | DTXSID50597556 | tert-butyl bis(2-bromoethyl)carbamate | MFCD11519276 | AS-18133 | A3530 | tert-butylbis(2-bromoethyl)carbamate | N-Boc-N, N-bis(2-bromoethyl)amine | FT-0604318 | AKOS015920157 | tert-butyl N, N-bis(2-bromoethyl)carbamate |
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(C)(C)OC(=O)N(CCBr)CCBr
IUPAC Nametert-butyl N,N-bis(2-bromoethyl)carbamate
InChIKeyCIKNCWSDHQVBKL-UHFFFAOYSA-N
INCHI1S/C9H17Br2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
Isomeric SMILES CC(C)(C)OC(=O)N(CCBr)CCBr
Molecular Weight 331
Reaxy-Rn 7805021
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7805021&ln=

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassNitrogen mustard compounds
Intermediate Tree Nodes Not available
Direct ParentNitrogen mustard compounds
Alternative Parents Carbamate esters  Organobromides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl bromides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Nitrogen mustard - Carbamic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
DescriptionThis 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 Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight331.040 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass330.961 Da
Monoisotopic Mass328.963 Da
Topological Polar Surface Area29.500 Ų
Heavy Atom Count14
Formal Charge0
Complexity174.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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