AG003899

162576-01-4 | 1-Cbz-1-methyl-ethylenediamine-hcl

AG003899

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CAS Number	162576-01-4
Catalog Number	AG003899(AGN-PC-0Q89IX)
Chemical Name	1-Cbz-1-methyl-ethylenediamine-hcl
IUPAC Name	benzyl N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
InChI	InChI=1S/C11H16N2O2.ClH/c1-13(8-7-12)11(14)15-9-10-5-3-2-4-6-10;/h2-6H,7-9,12H2,1H3;1H
InChI Key	UXWLBNDYLILRTJ-UHFFFAOYSA-N
MDL Number	MFCD11112220
Molecular Formula	C11H17ClN2O2
Molecular Weight	244.7179
SMILES	Cl.NCCN(C(OCC1=CC=CC=C1)=O)C
Synonyms	162576-01-4, Benzyl (2-aminoethyl)(methyl)carbamate hydrochloride, 1-CBZ-1-methyl-ethylenediamine-HCl, AK-63374, benzyl N-(2-aminoethyl)-N-methylcarbamate hydrochloride, N-Cbz-N-methylethylenediamine HCl, SCHEMBL1880511, CTK8B6628, DTXSID50597051, ANW-53803, MFCD11112220, AKOS015909941, GS-4110, KS-000025Z0, BR-63374, N-Cbz-N-Methylethylenediamine hydrochloride, AB0000894, AX8217033, TX-017848, 4CH-010805, ST24024638, W3543, S-1078, I14-32192, benzyl N-(2-aminoethyl)-N-methylcarbamate;hydrochloride, (2-amino-ethyl)-methyl-carbamic acid benzyl ester hydrochloride, Benzyl (2-aminoethyl)methylcarbamate--hydrogen chloride (1/1), C11H17ClN2O2, UXWLBNDYLILRTJ-UHFFFAOYSA-N, Benzyl(2-aminoethyl)(methyl)carbamatehydrochloride,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.098g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.719g/mol
Monoisotopic Mass	244.098g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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