Cbz-L-Prolinol

HCID 11096562CAS 6216-63-3

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Basic information

Standard SMILES: O=C(OCc1ccccc1)N1CCC[C@H]1CO
InChIKey: BJTNHGVCFWDNDP-LBPRGKRZSA-N
Molecular formula: C13H17NO3
Average molar mass: 235.28 g/mol
Monoisotopic mass: 235.1208434

Names & identifiers

Preferred name: Cbz-L-Prolinol
IUPAC: benzyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
English name: (S)-1-Cbz-2-hydroxymethylpyrrolidine
Molecular formula: C13H17NO3
Molecular weight: 235.28

Names & synonyms

Cbz-L-Prolinol6216-63-3DTXSID20455098RefChem:333604DTXCID20405917Z-ProlinolN-Cbz-L-prolinol(S)-1-Cbz-2-hydroxymethylpyrrolidineZ-L-ProlinolBenzyl (2S)-2-(Hydroxymethyl)Pyrrolidine-1-CarboxylateMFCD02683224Z-L-Prolinol, 97%

Show more names

Cbz-Pro-olZ-L-PRO-OLCbz-L-Pro-OLZ-L-Proninol

Benzyl (S)-2-(hydroxymethyl)pyrrolidine-1-carboxylateAC-23782n-carbobenzoxy-l-prolinol1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-, phenylmethyl ester, (2S)-1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-, phenylmethyl ester,(2S)-EN300-6559718Z1270584037phenylmethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Database identifiers

CAS: 6216-63-3
PubChem CID: 11096562
DTXSID: DTXSID20455098
Nikkaji: J1.110.007D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 251

Physicochemical properties

Boiling point: 160 °C0.8 · 160 °C0.8 mm Hg(lit.)
Density: 1.196 g/mL · 1.196 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.54(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 14.77 · 14.77±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow
Major Application: peptide synthesis
InChI: 1S/C13H17NO3/c15-9-12-7-4-8-14(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m0/s1
InChIKey: BJTNHGVCFWDNDP-LBPRGKRZSA-N
SMILES: OC[C@@H]1CCCN1C(=O)OCc2ccccc2
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
WGK Germany: 3 · 3
HS Code: 29051990 · 29051990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29051990
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338