Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate

C12H15NO3CAS 103500-22-7221.26 g/mol

Open in Covalent MOL file
HONHOO
AlcoholCarbamate

Properties

Molecular formula
C12H15NO3
Molar mass
221.26 g/mol
Exact mass
221.1052 Da
logP
1.44Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
103500-22-7
SMILES
C1CC1(CO)NC(=O)OCC2=CC=CC=C2
InChIKey
VAZQQRNYILEOGE-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO3/c14-9-12(6-7-12)13-11(15)16-8-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H,13,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Benzyl 1-(hydroxymethyl)cyclopropylcarbamate

Work with Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic acid114396-70-262 % similar Z-Aib-oh15030-72-557 % similar Benzyl N-(2-hydroxyethyl)carbamate77987-49-656 % similar Benzyl N-(3-hydroxypropyl)carbamate34637-22-452 % similar Cbz-D-phenylalaninol58917-85-451 % similar (S)-Cbz-phenylalaninol6372-14-151 % similar Z-Phg-oh53990-33-350 % similar 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-(-)-1-CBZ-3-pyrrolidinol100858-33-1 N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-7 Carbofuran1563-66-2 Metaxalone1665-48-1 Benzoyl-dl-valine2901-80-6 2-Acetyl-4-butyramidophenol40188-45-2 4-(Morpholin-4-ium-4-ylmethyl)benzoate62642-62-0 Morpholin-4-yl-phenyl-acetic acid6342-19-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook