AG003T8T

3817-11-6 | N-N-BUTYL-N-BUTAN-4-OL-NITROSAMINE

AG003T8T

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CAS Number	3817-11-6
Catalog Number	AG003T8T(AGN-PC-0JKET7)
Chemical Name	N-N-BUTYL-N-BUTAN-4-OL-NITROSAMINE
IUPAC Name	N-butyl-N-(4-hydroxybutyl)nitrous amide
InChI	InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3
InChI Key	DIKPQFXYECAYPC-UHFFFAOYSA-N
MDL Number	MFCD00059008
Molecular Formula	C8H18N2O2
Molecular Weight	174.2407
SMILES	O=NN(CCCCO)CCCC
UN Number	2810
Synonyms	Butylbutanolnitrosamine, Butylhydroxybutylnitrosamine, N Nitrosobutyl 4 hydroxybutylamine, N-Butyl-N-(4-hydroxybutyl)nitrosamine, N-Nitroso-N-butyl-(4-hydroxybutyl)amine, N-Nitrosobutyl-4-hydroxybutylamine, N-Butyl-N-(4-hydroxybutyl)nitrosamine, 3817-11-6, 1-Butanol, 4-(butylnitrosoamino)-, Butylhydroxybutylnitrosamine, Butylbutanolnitrosamine, 4-Hydroxybutylbutylnitrosamine, 4-(Butylnitrosamino)-1-butanol, N-butyl-N-(4-hydroxybutyl)nitrous amide, N-Nitroso-N-butyl-(4-hydroxybutyl)amine, N-Nitrosobutylbutanolamine, N-Butyl-(4-hydroxybutyl)nitrosamine, 4-(Butylnitrosoamino)butanol, Butanol (4)-butyl-nitrosamine, 4-(N-Butylnitrosamino)-1-butanol, 4-(butyl(nitroso)amino)butan-1-ol, Butyl-butanol-nitrosamine, Dibutylamine, 4-hydroxy-N-nitroso-, Butyl-butanol(4)-nitrosamin, CCRIS 836, N-Nitroso-N-butyl-N-(4-carboxypropyl)amine, Butyl(4-hydroxybutyl)nitrosamine, 1-Butanol, 4-(butylnitrosamino)-, 4-[butyl(nitroso)amino]butan-1-ol, Butyl-N-(4-hydroxybutyl)nitrosamine, Butyl-butanol(4)-nitrosamin [German], BRN 2080574, Butylbutanol nitrosamine, AC1L2ELE, DSSTox_CID_210, N-N-BUTYL-N-BUTAN-4-OL-NITROSAMINE, DSSTox_RID_75435, DSSTox_GSID_20210, 4-butylnitrosamino-1-butanol, SCHEMBL870314, 4-(Butylnitroamino)-1-butanol, 4-hydroxy-N-nitrosodibutylamine, CHEMBL164923, 4-Hydroxybutyl butyl nitrosamine, DTXSID2020210, CHEBI:91275, DIKPQFXYECAYPC-UHFFFAOYSA-N, N-Butyl-N-nitroso-4-aminobutanol, N-Butyl-N-butan-4-ol-nitrosamine, CS-D0403, Tox21_301263, MFCD00059008, ZINC27872701, n-butyl- (4-hydroxybutyl)nitrosamine, N-Butyl-N-(4-hydroxybutyl)nirosamine, AKOS015995017, LS-7237, RP23647, NCGC00255256-01, CAS-3817-11-6, 4-(1-Butyl-2-oxohydrazino)-1-butanol #, AB0071330, B0938, FT-0690989, C-46367, J-513677, I14-61441, N Nitrosobutyl 4 hydroxybutylamine, N-Nitrosobutyl-4-hydroxybutylamine, CID19665, N -Butyl- N -(4-hydroxybutyl)nitrosamine, D002085, BBN, 96332-15-9,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.137g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.244g/mol
Monoisotopic Mass	174.137g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H350
Packing Group	Ⅲ
Precautionary statements	P201-P308+P313
UN Code	UN 2811

Certificate of Analysis

Lot Number