AG000683

102-11-4 | 1,2-Ethanediamine, N1,N2-dimethyl-N1-(phenylmethyl)-

AG000683

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CAS Number	102-11-4
Catalog Number	AG000683(AGN-PC-0JL6XN)
Chemical Name	1,2-Ethanediamine, N1,N2-dimethyl-N1-(phenylmethyl)-
EC Number	203-006-3
IUPAC Name	N'-benzyl-N,N'-dimethylethane-1,2-diamine
InChI	InChI=1S/C11H18N2/c1-12-8-9-13(2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChI Key	PVFIKWLTVKSXED-UHFFFAOYSA-N
MDL Number	MFCD00014856
Molecular Formula	C11H18N2
Molecular Weight	178.2740
NSC Number	166313
SMILES	CNCCN(CC1=CC=CC=C1)C
UNII	H725296YU4
Synonyms	N-Benzyl-N,N'-dimethylethylenediamine, 102-11-4, N1-benzyl-N1,N2-dimethylethane-1,2-diamine, 1,2-Ethanediamine, N,N'-dimethyl-N-(phenylmethyl)-, 1,2-Ethanediamine, N1,N2-dimethyl-N1-(phenylmethyl)-, N-benzyl-N-methyl-N'-methylethylenediamine, UNII-H725296YU4, H725296YU4, N'-benzyl-N,N'-dimethylethane-1,2-diamine, EINECS 203-006-3, NSC166313, NSC 166313, Benzyl(methyl)(2-methylaminoethyl)amine, AC1L24FN, Ethylenediamine,N'-dimethyl-, ACMC-20980b, SCHEMBL1268109, DTXSID0059245, CTK8A9027, PVFIKWLTVKSXED-UHFFFAOYSA-N, ANW-14649, MFCD00014856, ZINC19365680, 1, N,N'-dimethyl-N-(phenylmethyl)-, AKOS000257041, N,N'-Dimethyl-N-benzylethylenediamine, N-Benzyl-N, N'-dimethylethylenediamine, N-benzyl-N,N'-dimethyl-ethylenediamine, N-benzyl-N,N'-dimethylethylene-diamine, NSC-166313, AJ-72943, AM807270, N-benzyl-N,N'-dimethylethane-1,2-diamine, TC-103394, FT-0081228, FT-0651064, N-BENZYL-N N'-DIMETHYLETHYLENEDIAMINE, N-Benzyl-N,N'-dimethyl-ethane-1,2-diamine, methyl 2-[methyl(phenylmethyl)amino]ethylamine, W-3972, methyl 2-[methyl (phenylmethyl)-amino]ethylamine, Ethylenediamine, N-benzyl-N,N'-dimethyl- (8CI), N(1)-Benzyl-N(1),N(2)-dimethyl-1,2-ethanediamine, AldrichCPR, C(N(C)CCNC)c1ccccc1, C11H18N2, CID66016, n-benzyl-n,n-dimethylethylenediamine, benzyl(methyl)(2-methylaminoethyl)amin, C11-H18-N2, N-Benzyl-N,N/'-dimethylethylenediamine, B3246, 1028486-01-2,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.147g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.279g/mol
Monoisotopic Mass	178.147g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H315-H319
Packing Group	Ⅲ
Precautionary statements	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
UN Code	UN 2811

Certificate of Analysis

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