AG000D87

116784-97-5 | Carbamic acid, N-(6-bromohexyl)-, phenylmethyl ester

AG000D87

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CAS Number	116784-97-5
Catalog Number	AG000D87(AGN-PC-0047FK)
Chemical Name	Carbamic acid, N-(6-bromohexyl)-, phenylmethyl ester
IUPAC Name	benzyl N-(6-bromohexyl)carbamate
InChI	InChI=1S/C14H20BrNO2/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)
InChI Key	RXHBKEAMZCXXSJ-UHFFFAOYSA-N
MDL Number	MFCD08436190
Molecular Formula	C14H20BrNO2
Molecular Weight	314.2181
SMILES	O=C(OCC1=CC=CC=C1)NCCCCCCBr
Synonyms	116784-97-5, N-Cbz-6-Bromo-hexylamine, Benzyl (6-bromohexyl)carbamate, benzyl 6-bromohexylcarbamate, (phenylmethyl) N-(6-bromanylhexyl)carbamate, Carbamic acid,N-(6-bromohexyl)-, phenylmethyl ester, ACMC-1BT3G, SCHEMBL5240928, CTK4A9969, DTXSID40570237, ACT07544, MFCD08436190, ZINC12648595, 6-Bromohexylcarbamic acid benzyl ester, AKOS015912148, FCH2817285, (6-bromohexyl)carbamic acid benzyl ester, BENZYL N-(6-BROMOHEXYL)CARBAMATE, AJ-62787, AS-36732, (6-Bromohexyl)-carbamic acid benzyl ester, AB0004801, AX8030384, FT-0687230, X-2405, A803670, N-(6-bromohexyl)carbamic acid (phenylmethyl) ester, Carbamic acid, N-(6-bromohexyl)-, phenylmethyl ester, I14-36205, (6-Bromohexyl)carbamicacidbenzylester,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.068g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	314.223g/mol
Monoisotopic Mass	313.068g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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