AG0070Z7

220364-34-1 | 3-(tert-Butoxycarbonylaminomethyl)benzyl bromide

AG0070Z7

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CAS Number	220364-34-1
Catalog Number	AG0070Z7(AGN-PC-0QYLR8)
Chemical Name	3-(tert-Butoxycarbonylaminomethyl)benzyl bromide
IUPAC Name	tert-butyl N-[[3-(bromomethyl)phenyl]methyl]carbamate
InChI	InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-11-6-4-5-10(7-11)8-14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChI Key	ZAWVAHJDHPLCQF-UHFFFAOYSA-N
MDL Number	MFCD20257493
Molecular Formula	C13H18BrNO2
Molecular Weight	300.1915
SMILES	O=C(OC(C)(C)C)NCC1=CC=CC(CBr)=C1
Synonyms	tert-Butyl 3-(bromomethyl)benzylcarbamate, 220364-34-1, 3-(TERT-BUTOXYCARBONYLAMINOMETHYL)BENZYL BROMIDE, tert-butyl (3-(bromomethyl)benzyl)carbamate, [3-(Bromomethyl)benzyl]carbamic acid tert-butyl ester, tert-butyl N-[[3-(bromomethyl)phenyl]methyl]carbamate, tert-butyl N-{[3-(bromomethyl)phenyl]methyl}carbamate, SCHEMBL851272, 3-(Boc-aminomethyl)benzylbromide, CTK8B9050, DTXSID30619225, ZAWVAHJDHPLCQF-UHFFFAOYSA-N, KS-00000PQ4, ANW-61906, MFCD20257493, ZINC82049876, AKOS016004989, ACN-049111, CS-W006743, MP-0947, AK-86060, DS-18124, SC-53891, AJ-125038, TC-150651, 4CH-011436, ST24025882, Z4426, tert-butyl N-(3-(bromomethyl)benzyl)carbamate, 3-(bromomethyl)benzylcarbamic acid tert-butyl ester, tert-Butyl {[3-(bromomethyl)phenyl]methyl}carbamate, (3-bromomethyl-benzyl)-carbamic acid tert-butyl ester, C13H18BrNO2,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.052g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	300.196g/mol
Monoisotopic Mass	299.052g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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