Benzyl N-(2-hydroxyethyl)carbamate

C₁₀H₁₃NO₃CAS 77987-49-6195.22 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₀H₁₃NO₃
Molar mass: 195.22 g/mol
Exact mass: 195.0895 Da
logP: 0.91Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from 42 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

77987-49-6

SMILES

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

InChIKey

SAGINAGERRNGGV-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO3/c12-7-6-11-10(13)14-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)

Weigh it out

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

Work with Benzyl N-(2-hydroxyethyl)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-(3-hydroxypropyl)carbamate34637-22-485 % similar Benzyl (3-Oxopropyl)carbamate65564-05-866 % similar Benzyl N-(2-aminoethyl)carbamate hydrochloride18807-71-164 % similar 5-(Carbobenzoxyamino)valeric acid23135-50-463 % similar Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-961 % similar Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate926280-84-461 % similar N-Carbobenzoxyaminoacetonitrile3589-41-161 % similar (9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook