AG003W4J

997-95-5 | N-Nitrosodiisobutylamine

AG003W4J

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CAS Number	997-95-5
Catalog Number	AG003W4J(AGN-PC-0JKBED)
Chemical Name	N-Nitrosodiisobutylamine
EC Number	213-644-4
IUPAC Name	N,N-bis(2-methylpropyl)nitrous amide
InChI	InChI=1S/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key	XLZCLFRMPCBSDI-UHFFFAOYSA-N
MDL Number	MFCD00210333
Molecular Formula	C8H18N2O
Molecular Weight	158.2413
NSC Number	134
SMILES	O=NN(CC(C)C)CC(C)C
UNII	0T0982G912
Synonyms	N-Nitrosodiisobutylamine, Dmdpn, 997-95-5, Diisobutylnitrosamine, N,N-Diisobutylnitrosamine, Diisobutylnitrosoamine, Nitrosodiisobutylamine, N,N-Diisobutylnitrous amide, Diisobutylamine, N-nitroso-, 2,2'-Dimethyldipropylnitrosoamine, Di-iso-butylnitrosamine, NSC 134, N-Nitroso-2,2'-dimethyldi-n-propylamine, N-Nitrosodi-iso-butylamine, 1-Propanamine, 2-methyl-N-(2-methylpropyl)-N-nitroso-, DIPROPYLAMINE, 2,2'-DIMETHYL-N-NITROSO-, UNII-0T0982G912, EINECS 213-644-4, BRN 1760696, N,N-bis(2-methylpropyl)nitrous amide, 0T0982G912, nitrosodi-i-butylamine, Bisisobutyl-N-nitrosoamine, AC1L22KH, N-Nitroso-di-iso-butylamine, CHEMBL352481, NSC134, SCHEMBL3195714, CTK5I0694, N,N-DIISOBUTYLNITROSOAMINE, DTXSID90244219, NSC-134, bis(2-methylpropyl)(nitroso)amine, XLZCLFRMPCBSDI-UHFFFAOYSA-N, 1,1-Diisobutyl-2-oxohydrazine #, ZINC4352937, 7002AC, 2,2'-Dimethyl-N-nitrosodipropylamine, Dipropylamine,2'-dimethyl-N-nitroso-, WLN: 1Y1&1NNO&1Y1&1, AKOS006273045, AJ-50839, LS-62917, DB-007775, FT-0081343, FT-0651110, N-isobutyl-2-methyl-N-nitrosopropan-1-amine, 2-Methyl-N-(2-methylpropyl)-N-nitroso-1-propanamine, 1-Propanamine, 2-methyl-N-(2-methylpropyl)-N-nitroso- (9CI), InChI=1/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H, N,N-Diisobutylnitrousamide, C8H18N2O, C8-H18-N2-O, CID13829, 4-04-00-03390 (Beilstein Handbook Reference),

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.142g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.245g/mol
Monoisotopic Mass	158.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H341-H351-H361-H371-H411
Packing Group	Ⅲ
Precautionary statements	P201-P202-P260-P264-P270-P273-P280-P301+P312+P330-P308+P311-P391-P405-P501
UN Code	UN 3082

Certificate of Analysis

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