AG0019VH

13893-53-3 | 2-Amino-2,3-dimethylbutyronitrile

AG0019VH

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CAS Number	13893-53-3
Catalog Number	AG0019VH(AGN-PC-0JM0N0)
Chemical Name	2-Amino-2,3-dimethylbutyronitrile
EC Number	604-102-1
IUPAC Name	2-amino-2,3-dimethylbutanenitrile
InChI	InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
InChI Key	CAOHBROWLMCZRP-UHFFFAOYSA-N
MDL Number	MFCD00661864
Molecular Formula	C6H12N2
Molecular Weight	112.1729
SMILES	CC(C(C)C)(C#N)N
Synonyms	2-Amino-2,3-dimethylbutanenitrile, 13893-53-3, 2-Amino-2,3-dimethylbutyronitrile, Butanenitrile, 2-amino-2,3-dimethyl-, 2-Amino-2,3-dimethyl-butyronitrile, Butanenitrile, 2-amino-2,3-dimethyl-, (+)-, AC1Q4QSE, DSSTox_CID_7759, EC 604-102-1, AC1Q1O1H, DSSTox_RID_78557, DSSTox_GSID_27759, KSC495M9L, SCHEMBL812803, AC1L3S20, CHEMBL3182303, DTXSID2027759, 1,2-dimethyl-1-cyanopropylamine, 1-cyano-1,2-dimethylpropylamine, CTK3J5695, CAOHBROWLMCZRP-UHFFFAOYSA-N, HMS1788G19, 2,3-Dimethyl-2-aminobutyronitrile, 2-Dmino-2,3-dimethylbutanenitrile, KS-00000Z8Q, 2-Amino-2,3-dimethyl butyronitrile, Tox21_302196, ANW-49406, MFCD00661864, SBB066047, AKOS000118705, AKOS016842345, Butyronitrile, 2-amino-2,3-dimethyl-, GS-3289, MCULE-1173643434, RTR-005129, (+)-2-amino-2,3-dimethylbutyronitrile, (-)-2-amino-2,3-dimethylbutyronitrile, NCGC00255400-01, (+/-)2-amino-2,3-dimethylbutyronitrile, BR-58956, LS-48215, S896, (+/-)-2-amino-2,3-dimethylbutyronitrile, (+/-)-2-amino-2,3-dimetylbutyronitrile, CAS-13893-53-3, DB-020370, ST2409442, TR-005129, AM20080292, FT-0655433, EN300-06631, M-9608, 893A533, I05-0355, Z56943431, UNII-05V56HJZ5F, 05V56HJZ5F, C6H12N2, CID94355, AR-1D8135, C6-H12-N2, Butanenitrile, 2-amino-2,3-dimethyl, 140-11-4,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.1g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.176g/mol
Monoisotopic Mass	112.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H312-H318-H331-H351-H361
Packing Group	Ⅲ
Precautionary statements	P201-P261-P280-P301+P310-P305+P351+P338-P310
UN Code	UN 2810

Certificate of Analysis

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