AG003J5I

2524-49-4 | 3-​Buten-​1-​amine (9CI)

AG003J5I

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CAS Number	2524-49-4
Catalog Number	AG003J5I(AGN-PC-0JRB7X)
Chemical Name	3-​Buten-​1-​amine (9CI)
IUPAC Name	but-3-en-1-amine
InChI	InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2
InChI Key	ASVKKRLMJCWVQF-UHFFFAOYSA-N
MDL Number	MFCD03425859
Molecular Formula	C4H9N
Molecular Weight	71.1210
SMILES	C(C=C)CN
Synonyms	3-Buten-1-amine, 2524-49-4, But-3-en-1-amine, homoallylamine, ACMC-1B0ZE, 4-AMINO-1-BUTENE, AC1L9F3E, 3-Buten-1-amine (9CI), C12244, MFCD03425859, 3-Butenylamine, 97%, 783295-28-3, 3-BUTENYLAMINE, n-but-3-enylamine, 3-butene-1-amine, BUT-3-ENYLAMINE, KSC201C3N, CHEBI:31108, CTK1A1136, DTXSID50332126, ASVKKRLMJCWVQF-UHFFFAOYSA-N, ZINC1532501, ANW-34355, AKOS000276646, AB14698, SB11689, TRA0139357, SC-52106, DB-073183, RT-004178, A817731, A833963, J-015887, N-Allylmethylamine, Allylmethylamine, 4-Amino-1-butene, 97% 1g, CID443732, 627-37-2,

Complexity	24.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	71.073g/mol
Formal Charge	0
Heavy Atom Count	5
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	71.123g/mol
Monoisotopic Mass	71.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(8)
Hazard statements	H225-H314-H318
Packing Group	Ⅱ
Precautionary statements	P210-P260h-P303+P361+P353-P305+P351+P338-P405-P501a
UN Code	UN 2733

Certificate of Analysis

Lot Number