AG00DC52

4540-87-8 | 2-(benzyloxycarbonylamino)ethylboronic acid

AG00DC52

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CAS Number	4540-87-8
Catalog Number	AG00DC52(AGN-PC-0WNRPX)
Chemical Name	2-(benzyloxycarbonylamino)ethylboronic acid
IUPAC Name	2-(phenylmethoxycarbonylamino)ethylboronic acid
InChI	InChI=1S/C10H14BNO4/c13-10(12-7-6-11(14)15)16-8-9-4-2-1-3-5-9/h1-5,14-15H,6-8H2,(H,12,13)
InChI Key	KHMDIKNZIMHPTI-UHFFFAOYSA-N
MDL Number	MFCD11505922
Molecular Formula	C10H14BNO4
Molecular Weight	223.0335
SMILES	O=C(NCCB(O)O)OCC1=CC=CC=C1
Synonyms	4540-87-8, 2-(BENZYLOXYCARBONYLAMINO)ETHYLBORONIC ACID, (2-(((Benzyloxy)carbonyl)amino)ethyl)boronic acid, AK-85434, (2-{[(Benzyloxy)carbonyl]amino}ethyl)boronic acid, CTK4I8783, DTXSID80675336, MFCD11505922, AKOS015839301, ZINC169905160, ACM4540878, FCH2838104, KS-00000S81, DS-18080, TR-017263, 2-(Benzyloxycarbonylamino)ethyl boronic acid, X0810, C-2289, F1967-1730, 2- ethylboronicacid, C10H14BNO4,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.102g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	223.035g/mol
Monoisotopic Mass	223.102g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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