AG00ASUV

1450752-97-2 | 2-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-amine

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CAS Number	1450752-97-2
Catalog Number	AG00ASUV
Chemical Name	2-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-amine
IUPAC Name	2-(3-but-3-ynyldiazirin-3-yl)ethanamine
InChI	InChI=1S/C7H11N3/c1-2-3-4-7(5-6-8)9-10-7/h1H,3-6,8H2
InChI Key	FMCIBERQJQEYIZ-UHFFFAOYSA-N
MDL Number	MFCD29918288
Molecular Formula	C7H11N3
Molecular Weight	137.1823
SMILES	C(CC#C)C1(N=N1)CCN
Synonyms	2-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-amine, 1450752-97-2, SCHEMBL19506119, KS-00000TPA, MFCD29918288, AKOS026720516, ZINC306334144, AK544199, AS-54439, CS-0046276, 2-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-amine, 95%, 3-(but-3-ynyl)-3-(2-aminoethyl)-3H-diazirine,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.095g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	137.186g/mol
Monoisotopic Mass	137.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H335-H314-H227
Packing Group	Ⅲ
Precautionary statements	P210-P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 2735

Certificate of Analysis

Lot Number