2-Chloroethylamine

HCID 13369
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Basic information

CAS
689-98-5
Standard SMILES
NCCCl
InChIKey
VKPPFDPXZWFDFA-UHFFFAOYSA-N
Molecular formula
C2H6ClN
Average molar mass
79.53 g/mol
Monoisotopic mass
79.01887687

Overview

RN given refers to parent cpd; RN in Chemline for HCl: 870-24-6

Names & identifiers

Preferred name
2-Chloroethylamine
IUPAC
2-chloroethanamine
English name
2-Chloroethanamine
Molecular formula
C2H6ClN
Molecular weight
79.53

Names & synonyms

2-Chloroethylamine2-Chloroethanamine689-98-5Ethanamine, 2-chloro-P7YLY3O329DTXSID10218977NSC-10871RefChem:86496DTXCID60141468chloroethylamine2-CHLOROETHAN-1-AMINEEthanamine, 2-chloro-(9CI)
Show more names
Camustine EP Impurity BEthanamine, 2-chloro- (9CI)2-chloroethanamine HCL SaLT
2-aminoethyl chloride1-chloro-2-aminoethane2-chloroethylaminehydrochlorideCCRIS 3041Carmustine EP Impurity BUNII-P7YLY3O3291-AMINO-2-CHLOROETHANE2-chloro-ethylamine

Database identifiers

CAS
689-98-5
PubChem CID
13369
DTXSID
DTXSID10218977
ChEMBL
CHEMBL1190279
UNII
P7YLY3O329
Nikkaji
J25.725G

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
4

Physicochemical properties

Melting point
146 · 146-148 °C
Boiling point
90.19 °C · 90.19°C (rough estimate)
Density
0.9313 · 0.9313 (rough estimate)
refractive index
1.4202 · 1.4202 (estimate)
pka
8.25 · 8.25±0.10(Predicted)
FDA UNII
7 YLY3O329 · P7YLY3O329

Chemistry & industry

Upstream & downstream products

Suppliers14 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
常州合晶化工有限公司85528066 13775048983 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]

Related reactions

88 records
New reaction record

Compound notes

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