AG007Q41

21539-53-7 | 3-(tert-Butylamino)propanenitrile

AG007Q41

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CAS Number	21539-53-7
Catalog Number	AG007Q41(AGN-PC-0KKLMQ)
Chemical Name	3-(tert-Butylamino)propanenitrile
IUPAC Name	3-(tert-butylamino)propanenitrile
InChI	InChI=1S/C7H14N2/c1-7(2,3)9-6-4-5-8/h9H,4,6H2,1-3H3
InChI Key	DGXPYBHONIFYLU-UHFFFAOYSA-N
MDL Number	MFCD00045637
Molecular Formula	C7H14N2
Molecular Weight	126.1995
SMILES	N#CCCNC(C)(C)C
Synonyms	21539-53-7, 3-(tert-butylamino)propanenitrile, 3-(tert-BUTYLAMINO)PROPIONITRILE, Propanenitrile,3-[(1,1-dimethylethyl)amino]-, AC1MBVFB, AC1Q1MOC, N-tert-butyl-cyanoethylamine, 3-(t-butylamino)propionitrile, SCHEMBL2389992, N-tertiary-butyl cyanoethylamine, CTK4E7076, DTXSID00373786, 3-(tert-butylamino)-propionitrile, DGXPYBHONIFYLU-UHFFFAOYSA-N, ZINC2507898, 3-[(tert-butyl)amino]propanenitrile, 7316AD, MFCD00045637, SBB017630, AKOS005188327, FS-3944, MCULE-5065980969, BP-10837, DB-021749, TR-010112, FT-0638126, 3-(tert-Butylamino)propanenitrile, AldrichCPR, EN300-54303, Y-8780, Propanenitrile, 3-[(1,1-dimethylethyl)amino]-, A815460, I05-1074, Z818727400, 3- PROPIONITRILE, C7H14N2, CID2757246,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.116g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.203g/mol
Monoisotopic Mass	126.116g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

Lot Number