AG001V45

16486-68-3 | 2-Propen-1-amine, N-(1,1-dimethylethyl)-

AG001V45

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CAS Number	16486-68-3
Catalog Number	AG001V45(AGN-PC-0JT01U)
Chemical Name	2-Propen-1-amine, N-(1,1-dimethylethyl)-
IUPAC Name	2-methyl-N-prop-2-enylpropan-2-amine
InChI	InChI=1S/C7H15N/c1-5-6-8-7(2,3)4/h5,8H,1,6H2,2-4H3
InChI Key	MDFOQCKFSUMLET-UHFFFAOYSA-N
MDL Number	MFCD16661796
Molecular Formula	C7H15N
Molecular Weight	113.2007
SMILES	CC(NCC=C)(C)C
Synonyms	N-Allyl-N-tert-butylamine, 16486-68-3, N-tert-Butylallylamine, 2-Propen-1-amine, N-(1,1-dimethylethyl)-, MDFOQCKFSUMLET-UHFFFAOYSA-N, N-tert-butylprop-2-en-1-amine, allyl-t-butylamine, AC1LBYLY, N-allyl-N-t-butylamine, SCHEMBL1234538, N-tert-Butyl-2-propen-1-amine, CTK0E5844, DTXSID10340681, KS-000016NO, MFCD16661796, N-Tert.-butyl-N-(2-propenyl)amine, ZINC52395564, AKOS009132223, N-(tert-Butyl)-2-propen-1-amine #, 2-methyl-N-prop-2-enylpropan-2-amine, DA-09546, TERT-BUTYL(PROP-2-EN-1-YL)AMINE, FT-0742902, N-(tert-Butyl)-2-propen-1-amine, CID566539, A2514,

Complexity	68.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.12g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	113.204g/mol
Monoisotopic Mass	113.12g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(8)
Hazard statements	H314-H225
Packing Group	Ⅱ
Precautionary statements	P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
UN Code	UN 2733

Certificate of Analysis

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