AG000UD2

130396-60-0 | Carbamic acid, (3-hydroxycyclobutyl)-, phenylmethyl ester (9CI)

AG000UD2

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CAS Number	130396-60-0
Catalog Number	AG000UD2(AGN-PC-0WBR3N)
Chemical Name	Carbamic acid, (3-hydroxycyclobutyl)-, phenylmethyl ester (9CI)
IUPAC Name	benzyl N-(3-hydroxycyclobutyl)carbamate
InChI	InChI=1S/C12H15NO3/c14-11-6-10(7-11)13-12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)
InChI Key	BCFMGQOQYWGLIL-UHFFFAOYSA-N
MDL Number	MFCD17011810
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	O=C(OCC1=CC=CC=C1)NC2CC(O)C2
Synonyms	130396-60-0, 937376-05-1, cis-Benzyl 3-hydroxycyclobutylcarbamate, 1403766-86-8, trans-Benzyl 3-hydroxycyclobutylcarbamate, benzyl (3-hydroxycyclobutyl)carbamate, Benzyl (cis-3-hydroxycyclobutyl)carbamate, benzyl (trans-3-hydroxycyclobutyl)carbamate, BENZYL N-(3-HYDROXYCYCLOBUTYL)CARBAMATE, BENZYL 3-HYDROXYCYCLOBUTYLCARBAMATE, (3-Hydroxy-cyclobutyl)-carbamic acid benzyl ester, PubChem17633, 3-(Cbz-amino)cyclobutan-1-ol, SCHEMBL9470730, SCHEMBL15221598, SCHEMBL15221619, CTK8C6645, DTXSID10599995, BCFMGQOQYWGLIL-PHIMTYICSA-N, BCFMGQOQYWGLIL-UHFFFAOYSA-N, BCFMGQOQYWGLIL-XYPYZODXSA-N, cis-3-(Cbz-amino)cyclobutan-1-ol, KS-000007SK, KS-000007SL, MFCD17011810, MFCD23106304, MFCD23106305, trans-3-(Cbz-amino)cyclobutan-1-ol, ZINC67172999, AKOS015156934, AKOS025291230, AKOS025291231, ZINC100135489, ZINC100135491, PB28626, PB36590, PB38582, SB21755, SB21756, AM807522, AM807523, AS-34811, AS-34812, AS-51144, TC-063652, benzyl ((cis)-3-hydroxycyclobutyl)carbaMate, benzyl (1r,3r)-3-hydroxycyclobutylcarbamate, CS-0047747, CS-0049665, CS-0049815, benzyl ((trans)-3-hydroxycyclobutyl)carbaMate, Benzyl N-(trans-3-hydroxycyclobutyl)carbamate, KS-00000366, N-(Benzyloxycarbonyl)-3-amino-1-cyclobutanol, Q-2063, Q-3183, Q-3315, benzyl N-[(1s,3s)-3-hydroxycyclobutyl]carbamate, Carbamic acid, (3-hydroxycyclobutyl)-, phenylmethyl ester (9CI), Carbamic acid, N-(cis-3-hydroxycyclobutyl)-, phenylmethyl ester, benzyl ((1s,3s)-3-hydroxycyclobutyl)carbamate,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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