Name: 3-Dimethylaminopropyl chloride hydrochloride
SKU: 1281-00-1

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Basic Information

Molecular Structure:
CAS No.:	1281-00-1
Name:	3-Dimethylaminopropyl chloride hydrochloride

Formula:	C₅H₁₃Cl₂N
Molecular Weight:	158.07
Synonyms:	Propylamine, 3-chloro-N,N-dimethyl-, hydrochloride (8CI);
EINECS:	226-467-2
Melting Point:	140-143 °C (lit.)
Boiling Point:	130.7 °C at 760 mmHg
Flash Point:	32.8 °C
Solubility:	soluble
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
PSA:	3.24000
LogP:	1.97890

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Specification

The 3-Dimethylaminopropyl chloride hydrochloride, with the CAS registry number 1281-00-1, is also known as Propylamine, 3-chloro-N,N-dimethyl-, hydrochloride (8CI). Its EINECS registry number is 226-467-2. This chemical's molecular formula is C₅H₁₃Cl₂N and molecular weight is 158.07. What's more, its systematic name is 3-Chloro-N, N-dimethylpropan-1-amine hydrochloride (1:1).

Physical properties about 3-Dimethylaminopropyl chloride hydrochloride are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.96; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 32.8 °C; (14)Enthalpy of Vaporization: 36.83 kJ/mol; (15)Boiling Point: 130.7 °C at 760 mmHg; (16)Vapour Pressure: 9.61 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. In addition, this chemical may cause damage to health. Besides, it irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.ClCCCN(C)C
(2) InChI: InChI=1/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
(3) InChIKey: LJQNMDZRCXJETK-UHFFFAOYAI