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C₂₀H₂₅NO₃CAS 1426129-50-1327.42 g/mol

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Alcohol Carbamate

Properties

Molecular formula: C₂₀H₂₅NO₃
Molar mass: 327.42 g/mol
Exact mass: 327.1834 Da
logP: 3.78Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

1426129-50-1

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)CO

InChIKey

TYQICOFAZDVKMK-GOSISDBHSA-N

InChI

InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-18(14-22)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18,22H,13-14H2,1-3H3,(H,21,23)/t18-/m1/s1

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Names and synonyms

1 names

Carbamic acid, N-((1R)-2-(1,1'-biphenyl)-4-YL-1-(hydroxymethyl)ethyl)-, 1,1-dimethylethyl ester

Work with Lcz696 intemediate

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

tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-788 % similar N-Boc-DL-phenylalaninol145149-48-088 % similar tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-088 % similar N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-167 % similar Boc-D-4,4'-biphenylalanine128779-47-567 % similar Boc-L-4,4'-biphenylalanine147923-08-867 % similar (S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-664 % similar Boc-L-phenylglycinol117049-14-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-beta-phenyl-L-phenylalaninol155836-47-8 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-9 2-[(1,1-Dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone64092-10-0

Elsewhere

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