2-(Diisopropylamino)ethyl chloride

HCID 7312CAS 96-79-7
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Basic information

Standard SMILES
CC(C)N(CCCl)C(C)C
InChIKey
DBVADBHSJCWFKI-UHFFFAOYSA-N
Molecular formula
C8H18ClN
Average molar mass
163.69 g/mol
Monoisotopic mass
163.11277726

Names & identifiers

Preferred name
2-(Diisopropylamino)ethyl chloride
IUPAC
N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine
English name
2''-Chloro-1,1'-dimethyltriethylamine
Molecular formula
C8H18ClN
Molecular weight
163.69

Names & synonyms

2-(Diisopropylamino)ethyl chloride96-79-7DIISOPROPYLAMINE, N-(2-CHLOROETHYL)-EINECS 202-535-7beta-(Diisopropylamino)ethyl chlorideDiisopropylaminoethyl chlorideBRN 0605346.beta.-Diisopropylaminoethyl chlorideDTXSID902420734-04-00-00511 (Beilstein Handbook Reference)Diisopropyl-(2-chloro-ethyl)-amineRefChem:84680
Show more names
AURORA KA-7635TIMTEC-BB SBB0058612-Chloroethyldiisopropylamine2-(diisopropylamino)ethylchloriden-(2-chloroethyl)-diisopropylaminN,N-Diisopropyl-2-chloroethanamine2-CHLORO-N N-DIISOPROPYLETHYLAMINE1-(Diisopropylamino)-2-chloroethane
DTXCID90164564beta-Diisopropylaminoethyl chlorideDBVADBHSJCWFKI-UHFFFAOYSA-N2-Chloro-N,N-diisopropylethylamineN,N-Diisopropyl-2-chloroethylamine1-Chloro-2-diisopropylaminoethaneN-(2-Chloroethyl)diisopropylamine2-Chloro-N,N-diisopropylethanamine

Database identifiers

CAS
96-79-7
PubChem CID
7312
DTXSID
DTXSID90242073
ChEMBL
CHEMBL1592976
UNII
B9V7N2CQ7K
EC Number
202-535-7
Nikkaji
J81.990E

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
10

Physicochemical properties

FDA UNII
9 V7N2CQ7K · B9V7N2CQ7K

Related reactions

72 records
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Linked notes

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