(3-Chloropropyl)diethylamine Hydrochloride - CAS 4535-85-7

Catalog:	BB025843
Product Name:	(3-Chloropropyl)diethylamine Hydrochloride
CAS:	4535-85-7
Synonyms:	3-chloro-N,N-diethyl-1-propanamine;hydrochloride; 3-chloro-N,N-diethylpropan-1-amine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-N,N-diethylpropan-1-amine;hydrochloride
Description:	(3-Chloropropyl)diethylamine Hydrochloride (CAS# 4535-85-7) is a useful research chemical.
Molecular Weight:	186.12
Molecular Formula:	C7H17Cl2N
Canonical SMILES:	CCN(CC)CCCCl.Cl
InChI:	InChI=1S/C7H16ClN.ClH/c1-3-9(4-2)7-5-6-8;/h3-7H2,1-2H3;1H
InChI Key:	FBDKONZGCAAZJK-UHFFFAOYSA-N
Boiling Point:	170.5 °C at 760 mmHg
Density:	0.919 g/cm³
LogP:	2.75910

Publication Number	Title	Priority Date
BR-112020010534-A2	1,2,4-oxadiazole derivatives as histone deacetylase 6 inhibitors	20171205
CA-3083061-A1	1,2,4-oxadiazole derivatives as histone deacetylase 6 inhibitors	20171205
CN-111406054-A	1, 2, 4-oxadiazole derivatives as inhibitors of histone deacetylase 6	20171205
KR-20200097294-A	1,2,4-oxadiazole derivatives as histone deacetylase 6 inhibitors	20171205
US-2020339569-A1	1,2,4-oxadiazole derivatives as histone deacetylase 6 inhibitors	20171205

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	52.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0738049
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.0738049
Rotatable Bond Count:	5
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0