AG001R98

159635-50-4 | Carbamic acid, N,N-bis(2-bromoethyl)-, 1,1-dimethylethyl ester

AG001R98

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CAS Number	159635-50-4
Catalog Number	AG001R98(AGN-PC-025MGG)
Chemical Name	Carbamic acid, N,N-bis(2-bromoethyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N,N-bis(2-bromoethyl)carbamate
InChI	InChI=1S/C9H17Br2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
InChI Key	CIKNCWSDHQVBKL-UHFFFAOYSA-N
MDL Number	MFCD11519276
Molecular Formula	C9H17Br2NO2
Molecular Weight	331.0448
SMILES	BrCCN(C(=O)OC(C)(C)C)CCBr
Synonyms	159635-50-4, N-Boc-N,N-bis(2-bromoethyl)amine, tert-butyl bis(2-bromoethyl)carbamate, tert-butyl N,N-bis(2-bromoethyl)carbamate, Carbamic acid,bis(2-bromoethyl)-, 1,1-dimethylethyl ester (9CI), N-Boc-N, N-bis(2-bromoethyl)amine, Carbamic acid, bis(2-bromoethyl)-, 1,1-dimethylethyl ester, PubChem12282, C9H17Br2NO2, AMOT0023, SCHEMBL1912721, CTK4D0157, n-boc-n,n-bis(2-bromoethy..., DTXSID50597556, ANW-49738, MFCD11519276, AKOS015920157, ZINC100008446, AM84526, VZ33192, AS-18133, BC003644, BR-70909, SC-14650, SY018075, AB0022572, DB-064296, TX-017844, FT-0604318, W3464, S-7030, S14-2875, Carbamic acid, N,N-bis(2-bromoethyl)-, 1,1-dimethylethyl ester, A3530,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	330.961g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.048g/mol
Monoisotopic Mass	328.963g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

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