AG000H8S

1159738-31-4 | 3-Oxetanecarboxylic acid, 3-[(phenylmethyl)amino]-

AG000H8S

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CAS Number	1159738-31-4
Catalog Number	AG000H8S(AGN-PC-0WBR47)
Chemical Name	3-Oxetanecarboxylic acid, 3-[(phenylmethyl)amino]-
IUPAC Name	3-(benzylamino)oxetane-3-carboxylic acid
InChI	InChI=1S/C11H13NO3/c13-10(14)11(7-15-8-11)12-6-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,13,14)
InChI Key	KMSVJIAOOXCXQL-UHFFFAOYSA-N
MDL Number	MFCD22370042
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	O=C(C1(NCC2=CC=CC=C2)COC1)O
Synonyms	3-(BENZYLAMINO)OXETANE-3-CARBOXYLIC ACID, 1159738-31-4, SCHEMBL2391401, DTXSID90737212, KMSVJIAOOXCXQL-UHFFFAOYSA-N, KS-000007TH, MFCD22370042, ZINC87597672, AKOS016015871, 3-Benzylamine-3-oxetanecarboxylic acid, 3-(Benzylamino)oxetane-3-carboxylicacid, 3-Benzylamino-oxetane-3-carboxylic acid, AS-38439, AB0077494, CS-0051723, Q-5032, 3-Oxetanecarboxylic acid, 3-[(phenylmethyl)amino]-, 3-[(phenylmethyl)amino]-3-Oxetanecarboxylic acid,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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