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AG008S3P

Name: 1-(Tert-Butoxycarbonyl)Azepane-2-Carboxylic Acid
Brand: Angene Chemical
SKU: AG008S3P

1034708-26-3 | 1-(Tert-Butoxycarbonyl)Azepane-2-Carboxylic Acid

Chemical structure of 1-(Tert-Butoxycarbonyl)Azepane-2-Carboxylic Acid, CAS 1034708-26-3

AG008S3P

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CAS Number	1034708-26-3
Catalog Number	AG008S3P(AGN-PC-0WACGT)
Chemical Name	1-(Tert-Butoxycarbonyl)Azepane-2-Carboxylic Acid
IUPAC Name	1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
InChI	InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-8-6-4-5-7-9(13)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChI Key	BKMVFOKQLCHCPK-UHFFFAOYSA-N
MDL Number	MFCD03790979
Molecular Formula	C12H21NO4
Molecular Weight	243.2994
SMILES	CC(OC(N1C(C(O)=O)CCCCC1)=O)(C)C
Synonyms	1034708-26-3, 1-(tert-butoxycarbonyl)azepane-2-carboxylic acid, 1-Boc-azepane-2-carboxylic acid, Azepane-1,2-dicarboxylic acid 1-tert-butyl ester, 1-[(tert-butoxy)carbonyl]azepane-2-carboxylic acid, 1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic Acid, (S)-1-Boc-azepane-2-carboxylic acid, AC1MMV0H, SCHEMBL222955, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid, CTK7G3256, DTXSID40391121, BKMVFOKQLCHCPK-UHFFFAOYSA-N, 1-(Boc)azepane-2-carboxylic acid, 1-(Boc)-azepane-2-carboxylic acid, 0833AA, ANW-58749, MFCD03790979, AKOS005264193, MCULE-5717392281, RP28586, AS-36871, AB0063430, DB-059005, TC-147494, FT-0689961, A43051, K-0372, I14-14092, F8887-2931, Z1742056050, perhydro-azepine-1,2-dicarboxylic acid 1-tert-butyl ester, (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid, C12H21NO4, CID3292084, 1-(tert-Butoxycarbonyl)azepane-2-carboxylicacid, (R)-1-(tert-Butoxycarbonyl)azepane-2-carboxylic acid, 1227926-67-1, 155905-76-3, N-(tert-Butoxycarbonyl)azepane-2-carboxylic acid; 1-(Boc)azepane-2-carboxylic acid,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.147g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.303g/mol
Monoisotopic Mass	243.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Related Research Chemicals

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited