3-Chloro-N,N-dimethyl-1-propanamine

HCID 66960
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Basic information

CAS
109-54-6
Standard SMILES
CN(C)CCCCl
InChIKey
NYYRRBOMNHUCLB-UHFFFAOYSA-N
Molecular formula
C5H12ClN
Average molar mass
121.61 g/mol
Monoisotopic mass
121.06582706

Overview

structure given in first source

Names & identifiers

Preferred name
3-Chloro-N,N-dimethyl-1-propanamine
IUPAC
3-chloro-N,N-dimethylpropan-1-amine
English name
3-Chloro-1-(N,N-dimethyl)propylamine
Molecular formula
C5H12ClN
Molecular weight
121.61

Names & synonyms

109-54-6Dimethylaminopropyl chloride3-Chloro-N,N-dimethyl-1-propanamineG41F3T7H6QDTXSID5043849RefChem:495077DTXCID30238493-chloro-N,N-dimethylpropan-1-amine3-Chloro-1-(N,N-dimethyl)propylamine(3-chloropropyl)dimethylamineMFCD000444961-Propanamine, 3-chloro-N,N-dimethyl-
Show more names
dimethylaminopropylchloride3-Chloro-N,N-dimethylpropanCAS:109-54-63-Chloro-1-(NAURORA KA-7644oro-1-(N,N-dimethyL
3-chloro-N,N-dimethyl-propan-1-amine3-dimethylaminopropylchloride3-(dimethylamino)propyl chloride3-DIMETHYLAMINOPROPYL CHLORIDE3-Chloropropyl(dimethyl)amineN-(3-chloropropyl)dimethylamine(3-chloro-propyl)-dimethyl-amine1-dimethylamino-3-chloropropane

Database identifiers

CAS
109-54-6
PubChem CID
66960
DTXSID
DTXSID5043849
ChEMBL
CHEMBL449411
UNII
G41F3T7H6Q
EC Number
203-679-3
Nikkaji
J35.164D

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
7

Physicochemical properties

Melting point
168 ℃ · 168℃
Boiling point
140 °C · 140 °C
Density
0.929 · 0.929
refractive index
1.432 · 1.4320
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility
Chloroform (Sparingly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (18%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Propanamine, 3-chloro-N,N-dimethyl-

Status: Active Update: 03-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18933

Hazard Classes and CategoriesAcute Tox. 4 (18%)

Safety data

ridadr
2735
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
8
packing_group
Ⅲ
Hazard statements
H315-H319-H335

Chemistry & industry

Applications

Uses3-Chloro-1-(N,N-dimethyl)propylamine is a genotoxic impurity in drug samples of rizatriptan benzoate. Also, it is the side chain of Chlorpromazine and Amitriptyline.

Upstream & downstream products

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
杭州凌禾医药科技有限公司+86-19521660860 18571465433
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

397 records
New reaction record

Compound notes

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