AG000KHV

123387-52-0 | 1H-Azepine-1-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester

AG000KHV

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	123387-52-0
Catalog Number	AG000KHV(AGN-PC-000WCO)
Chemical Name	1H-Azepine-1-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl azepane-1-carboxylate
InChI	InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h4-9H2,1-3H3
InChI Key	QZBSPLNCSRGMBA-UHFFFAOYSA-N
MDL Number	MFCD18252672
Molecular Formula	C11H21NO2
Molecular Weight	199.2899
SMILES	O=C(N1CCCCCC1)OC(C)(C)C
Synonyms	tert-Butyl azepane-1-carboxylate, 123387-52-0, 1-(tert-Butoxycarbonyl)hexahydroazepine, boc-azepane, N-Boc-azepane, 1-Boc-azepane, 1-Boc-homopiperidine, N-Boc-perhydroazepine, 1-Boc-perhydroazepine, 1-Boc-hexahydroazepine, N-Boc-hexamethyleneimine, 1-Boc-hexahydro-1H-azepine, SCHEMBL60470, N-Boc-hexamethyleneimine, 97%, DTXSID40558277, QZBSPLNCSRGMBA-UHFFFAOYSA-N, 1-(t-Butoxycarbonyl)hexahydroazepine, MFCD18252672, ZINC34263193, AKOS013102136, CS-0039161, Hexahydro-1H-azepine-1-carboxylic acid tert-butyl ester, Hexahydro-1H-azepine-1-carboxylic acid 1,1-dimethylethyl ester, 1H-Azepine-1-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.157g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.294g/mol
Monoisotopic Mass	199.157g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H319-H400
Packing Group	Ⅲ
Precautionary statements	P273-P301+P310-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

Lot Number