AG0000W9

1000932-73-9 | Carbamic acid, N-[(2,3-dihydro-1H-indol-3-yl)methyl]-, 1,1-dimethylethyl ester

AG0000W9

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CAS Number	1000932-73-9
Catalog Number	AG0000W9(AGN-PC-0WA7JS)
Chemical Name	Carbamic acid, N-[(2,3-dihydro-1H-indol-3-yl)methyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(2,3-dihydro-1H-indol-3-ylmethyl)carbamate
InChI	InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-10-8-15-12-7-5-4-6-11(10)12/h4-7,10,15H,8-9H2,1-3H3,(H,16,17)
InChI Key	ZYDGETNTBBDROM-UHFFFAOYSA-N
MDL Number	MFCD09971405
Molecular Formula	C14H20N2O2
Molecular Weight	248.3208
SMILES	O=C(OC(C)(C)C)NCC1CNC2=C1C=CC=C2
Synonyms	1000932-73-9, 3-(Boc-aminomethyl)indoline, tert-Butyl (indolin-3-ylmethyl)carbamate, (2,3-Dihydro-1H-indol-3-ylmethyl)-carbamic acid tert-butyl ester, tert-butyl 2,3-dihydro-1H-indol-3-ylmethylcarbamate, tert-butyl N-(2,3-dihydro-1H-indol-3-ylmethyl)carbamate, tert-butyl N-[(2,3-dihydro-1H-indol-3-yl)methyl]carbamate, AC1Q1NEQ, CTK7G9246, 2018AJ, MFCD09971405, AKOS009132784, MCULE-9015325476, AS-32462, SY021536, DB-058285, FT-0759972, EN300-31139, Z-4627, MFCD09971405 (95+%), Z255150746, Carbamic acid, N-[(2,3-dihydro-1H-indol-3-yl)methyl]-, 1,1-dimethylethyl ester, C14H20N2O2, ACN-044974,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	248.326g/mol
Monoisotopic Mass	248.152g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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