AG002IAP

189323-09-9 | 2-Bromo-N-(2-bromoethyl)-N-Cbz-Ethanamine

AG002IAP

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CAS Number	189323-09-9
Catalog Number	AG002IAP(AGN-PC-022RQ8)
Chemical Name	2-Bromo-N-(2-bromoethyl)-N-Cbz-Ethanamine
IUPAC Name	benzyl N,N-bis(2-bromoethyl)carbamate
InChI	InChI=1S/C12H15Br2NO2/c13-6-8-15(9-7-14)12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key	KZXFVMMTKPFXAO-UHFFFAOYSA-N
MDL Number	MFCD11519273
Molecular Formula	C12H15Br2NO2
Molecular Weight	365.0610
SMILES	BrCCN(CCBr)C(OCC1=CC=CC=C1)=O
Synonyms	189323-09-9, N-Cbz-N,N-bis(2-bromoethyl)amine, 2-Bromo-N-(2-bromoethyl)-N-Cbz-ethanamine, BENZYL BIS(2-BROMOETHYL)CARBAMATE, Carbamic acid,N,N-bis(2-bromoethyl)-, phenylmethyl ester, PubChem12277, C12H15Br2NO2, SCHEMBL264989, CTK4E0104, DTXSID60596590, KZXFVMMTKPFXAO-UHFFFAOYSA-N, benzyl bis(2 -bromoethyl)carbamate, 7254AJ, MFCD11519273, ZINC97972632, AKOS015909144, AS-40526, BC003643, SC-29417, SY027319, FT-0604315, BENZYL N,N-BIS(2-BROMOETHYL)CARBAMATE, MFCD11519273 (95%), N-Benzyloxycarbonyl-N,N-bis(2-bromoethyl)amine, N,N-Bis(2-bromoethyl)carbamic acid benzyl ester, I14-33376, Carbamic acid, N,N-bis(2-bromoethyl)-, phenylmethyl ester, A4182,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	364.945g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	365.065g/mol
Monoisotopic Mass	362.947g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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