Diallylamine Hydrochloride

CAT: 0024-sc-486543Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-486543Size:25 g

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CAS Number

6147-66-6

Chemical Information

Diallylamine hydrochloride

CAS Number	6147-66-6
PubChem CID	521977
IUPAC Name	N-prop-2-enylprop-2-en-1-amine;hydrochloride
Molecular Formula	C6H12ClN
Molecular Weight	133.62
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	49

SMILES

C=CCNCC=C.Cl

InChI

InChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H

InChIKey

PZNOBXVHZYGUEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6147-66-6

CID: 521977

Formula: C6H12ClN

MW: 133.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.62
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	133.0658271
Monoisotopic Mass	133.0658271
Topological Polar Surface Area	12 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	49.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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