AG0039VA

108468-00-4 | 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene

AG0039VA

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CAS Number	108468-00-4
Catalog Number	AG0039VA(AGN-PC-0OYK97)
Chemical Name	1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene
IUPAC Name	tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate
InChI	InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChI Key	NUANLVJLUYWSER-UHFFFAOYSA-N
MDL Number	MFCD02683058
Molecular Formula	C13H20N2O2
Molecular Weight	236.3101
SMILES	C(=O)(OC(C)(C)C)NCC1=CC=C(C=C1)CN
Synonyms	1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene, 108468-00-4, tert-butyl 4-(aminomethyl)benzylcarbamate, TERT-BUTYL N-[4-(AMINOMETHYL)BENZYL]CARBAMATE, Tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate, tert-Butyl N-[4-(aminomethyl)benzyl] carbamate, (4-aminomethyl-benzyl)-carbamic acid tert-butyl ester, tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate, 1-(N-BOC-aminomethyl)-4-(aminomethyl)benzene, 90%, N-{[4-(aminomethyl)phenyl]methyl}(tert-butoxy)carboxamide, AC1MNLRR, N-Boc-p-xylylenediamine, 4-(tert-Butoxycarbonylaminomethyl)benzylamine, ACMC-1C51F, SCHEMBL99337, N-mono(Boc)-p-xylylenediamine, CTK7E4479, DTXSID70391730, N-Boc-4-(aminomethyl)benzylamine, NUANLVJLUYWSER-UHFFFAOYSA-N, ACT03710, ZINC8468943, ANW-54190, HT1081, MFCD02683058, SBB052394, AKOS010142082, AS06684, CB-1777, CS-W005444, MCULE-4934715788, 4-(BOC-AMINOMETHYL)-BENZYLAMINE, KS-00000K94, 4-tert-butoxycarbonylaminomethylbenzylamine, AJ-57585, AK-27784, AN-33767, BR-27784, DS-10915, tert-butyl-4-(aminomethyl)benzylcarbamate, AB0004670, DB-059759, RT-006126, ST2415098, 4CH-013216, AM20020186, FT-0653506, ST50949532, X8881, tert.-butyl (4-aminomethyl-benzyl)-carbamate, 4-(N-tert-butoxycarbonylaminomethyl)benzylamine, 4-(tert-butyloxycarbonylaminomethyl)benzylamine, S-1962, 1-(-N-Boc-aminomethyl)-4-(aminomethyl)benzene, 468B004, 4-(tert-Butoxycarbonylaminomethyl)benzenemethanamine, I14-7910, J-002150, 1-(N-BOC-aminomethyl)-4-(aminomethyl)benzene, 95%, 108468-00-4 tert-butyl 4-(aminomethyl)benzylcarbamate, 1,1-dimethylethyl {[4-(aminomethyl)phenyl]methyl}carbamate, C13H20N2O2, CID3354775, A2125, 220298-96-4,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.152g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.315g/mol
Monoisotopic Mass	236.152g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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