CAS 1257294-13-5 Benzyl 3-hydroxy-3-methylazetidine-1-carboxylate (HCID 59606083)

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Basic information

CAS: 1257294-13-5
Standard SMILES: CC1(O)CN(C(=O)OCc2ccccc2)C1
InChIKey: PTYNFZICYFFALO-UHFFFAOYSA-N
Molecular formula: C12H15NO3
Average molar mass: 221.25 g/mol
Monoisotopic mass: 221.10519334

Names & identifiers

Preferred name: Benzyl 3-hydroxy-3-methylazetidine-1-carboxylate
IUPAC: benzyl 3-hydroxy-3-methylazetidine-1-carboxylate
English name: benzyl 3-hydroxy-3-Methylazetidine-1-carboxylate
Molecular formula: C12H15NO3
Molecular weight: 221.25

Names & synonyms

1257294-13-5benzyl 3-hydroxy-3-methylazetidine-1-carboxylateBENZYL 3-HYDROXY-3-METHYL-AZETIDINE-1-CARBOXYLATEMFCD205287101-Azetidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl esterBenzyl3-hydroxy-3-methylazetidine-1-carboxylateSCHEMBL2673587DTXSID10732486PTYNFZICYFFALO-UHFFFAOYSA-N1-Cbz-3-hydroxy-3-methylazetidineAKOS015292466SB13489

Show more names

BS-19943DB-114270CS-0079136EN300-50537893-Hydroxy-3-methylazetidine-1-carboxylic acid benzyl ester

Database identifiers

CAS: 1257294-13-5
PubChem CID: 59606083
DTXSID: DTXSID10732486

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 255

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: light yellow solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501