AG00620D

93554-80-4 | 2-aminobutanenitrile

AG00620D

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CAS Number	93554-80-4
Catalog Number	AG00620D(AGN-PC-0W34R9)
Chemical Name	2-aminobutanenitrile
IUPAC Name	2-aminobutanenitrile;hydrochloride
InChI	InChI=1S/C4H8N2.ClH/c1-2-4(6)3-5;/h4H,2,6H2,1H3;1H
InChI Key	OJGHKZQRNGOMQR-UHFFFAOYSA-N
MDL Number	MFCD11858092
Molecular Formula	C4H9ClN2
Molecular Weight	120.5807
NSC Number	113504
SMILES	CCC(C#N)N.[H]Cl
Synonyms	2-aminobutanenitrile hydrochloride, 93554-80-4, 2-aminobutyronitrile hydrochloride, (2S)-2-aminobutanenitrile hydrochloride, 887277-58-9, AC1Q39MV, SCHEMBL3877801, 2-AMINOBUTANENITRILE HCL, CTK6C6945, DTXSID30537975, NSC113504, AKOS016902291, MCULE-1350483203, NE15334, NSC-113504, SC-70455, EN300-43508, 2-Aminobutanenitrile--hydrogen chloride (1/1), Z445129502, 2-aminobutanenitrile,hydrochloride, (2R)-2-aminobutanenitrile hydrochloride, 151528-47-1, 40651-89-6,

Complexity	68.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.045g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	120.58g/mol
Monoisotopic Mass	120.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number