2-chloro-4-[trans-3-amino-2,2,4,4-tetramethylcyclobutoxy]benzonitrile - ≥97% , CAS No.1818885-54-9

CAS: 1818885-54-9 Cat. No.: C630668 Molecular Weight: 278.78 PubChem CID: 118435261
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
MFCD30803693 | SCHEMBL17954387 | 4-(trans-3-Amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile | SCHEMBL17162071 | P18841 | AKOS040732459 | 2-chloro-4-(trans-3-amino-2,2,4,4-tetramethylcyclobutoxy)benzonitrile | AR antagonist 1 | DTXSID001147413 |
Storage
Store at 2-8°C
Shipped In
Wet ice
Application
230
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
C630668-250mg
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$187.90

$281.90
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500mg
C630668-500mg
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$338.90

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1g
C630668-1g
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$528.90

$793.90
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5g
C630668-5g
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$1,983.90

$2,975.90
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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
MFCD30803693 | SCHEMBL17954387 | 4-(trans-3-Amino-2, 2, 4, 4-tetramethylcyclobutoxy)-2-chlorobenzonitrile | SCHEMBL17162071 | P18841 | AKOS040732459 | 2-chloro-4-(trans-3-amino-2, 2, 4, 4-tetramethylcyclobutoxy)benzonitrile | AR antagonist 1 | DTXSID001147413 |
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesCC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)N)C
IUPAC Name4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2-chlorobenzonitrile
InChIKeyZMQAQKRIAFCCDB-UHFFFAOYSA-N
INCHI1S/C15H19ClN2O/c1-14(2)12(18)15(3,4)13(14)19-10-6-5-9(8-17)11(16)7-10/h5-7,12-13H,18H2,1-4H3
Isomeric SMILES CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)N)C
Alternate CAS 1818885-54-9
PubChem CID 118435261
Molecular Weight 278.78

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

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 Weight278.780 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass278.119 Da
Monoisotopic Mass278.119 Da
Topological Polar Surface Area59.000 Ų
Heavy Atom Count19
Formal Charge0
Complexity382.000
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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