AG003IXG

1118-61-2 | 3-AMINOCROTONONITRILE

AG003IXG

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CAS Number	1118-61-2
Catalog Number	AG003IXG(AGN-PC-0D5Y9P)
Chemical Name	3-AMINOCROTONONITRILE
EC Number	214-266-2
IUPAC Name	3-aminobut-2-enenitrile
InChI	InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3
InChI Key	DELJOESCKJGFML-UHFFFAOYSA-N
MDL Number	MFCD00008071
Molecular Formula	C4H6N2
Molecular Weight	82.1038
SMILES	C(=C(C)N)C#N
Synonyms	3-Aminocrotononitrile, 3-aminobut-2-enenitrile, 1118-61-2, 2-Butenenitrile, 3-amino-, 3-Amino-but-2-enenitrile, 2-Butenenitrile, 3-amino-, (2Z)-, beta-Aminocrotononitrile, 3-Amino-2-butenonitrile, 870-64-4, AC1L2ENS, 3-amino-2-butene nitrile, ACMC-2099b1, CTK2G7892, CTK3C5749, CTK3J3912, DELJOESCKJGFML-UHFFFAOYSA-N, 763-33-7, ACT07325, KS-000009HT, 2-Butenenitrile, 3-amino-, (E)-, ANW-16331, AKOS028108312, MCULE-7342293837, AN-48551, FT-0615039, 3-Aminocrotonitrile, (E)-3-aminobut-2-enenitrile, C4H6N2, C4-H6-N2, CID70699, EINECS 214-266-2, NSC 102759, AI3-52447,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	82.053g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	82.106g/mol
Monoisotopic Mass	82.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H311-H317
Packing Group	Ⅲ
Precautionary statements	P261-P280-P302+P352
UN Code	UN 3439

Certificate of Analysis

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