Benzyl N-(3-hydroxypropyl)carbamate

C₁₁H₁₅NO₃CAS 34637-22-4209.24 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₁₅NO₃
Molar mass: 209.24 g/mol
Exact mass: 209.1052 Da
logP: 1.30Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

34637-22-4

SMILES

C1=CC=C(C=C1)COC(=O)NCCCO

InChIKey

WXQCFKYWSKKNKY-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,12,14)

Weigh it out

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

Work with Benzyl N-(3-hydroxypropyl)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

Benzyl N-(2-hydroxyethyl)carbamate77987-49-685 % similar 5-(Carbobenzoxyamino)valeric acid23135-50-467 % similar Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-964 % similar Benzyl (3-Oxopropyl)carbamate65564-05-861 % similar Benzyl N-(2-aminoethyl)carbamate hydrochloride18807-71-160 % similar N-(9-Fluorenylmethoxycarbonyl)-3-aminopropan-1-ol157887-82-659 % similar H-D-Lys(Z)-oh34404-32-558 % similar Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate926280-84-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propoxur114-26-1 Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate2386-26-7 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-6 (2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-3 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2 N-Benzyloxycarbonyl-D-alaninol61425-27-2 Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate66674-16-6 (R)-4-Amino-3-(4-methoxyphenyl)butanoic acid740774-41-8

Elsewhere

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