chempirical

2-((1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl)hydrazinecarboxaldehyde

C13H20N2O2CAS 170985-85-0236.32 g/mol

Open in Covalent MOL file
ONHHNO
AmideEtherSecondary amine

Properties

Molecular formula
C13H20N2O2
Molar mass
236.32 g/mol
Exact mass
236.1525 Da
logP
1.62Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8
Stereocentres
S, Sin SMILES atom order

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
170985-85-0
SMILES
CC[C@@H]([C@H](C)OCC1=CC=CC=C1)NNC=O
InChIKey
LNEGZKZTVLXZFX-AAEUAGOBSA-N
InChI
InChI=1S/C13H20N2O2/c1-3-13(15-14-10-16)11(2)17-9-12-7-5-4-6-8-12/h4-8,10-11,13,15H,3,9H2,1-2H3,(H,14,16)/t11-,13-/m0/s1

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Names and synonyms

1 names
  • 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde

Work with 2-((1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl)hydrazinecarboxaldehyde

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

Boc-O-benzyl-D-threoninol168034-31-945 % similar (2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-341 % similar Z-Thr(bzl)-oh69863-36-139 % similar tert-Butyl ((2R,3R)-3-(benzyloxy)-1-hydroxybutan-2-yl)carbamate133565-43-238 % similar (R)-(+)-2-Benzyloxypropionic acid100836-85-937 % similar N-tert-Butoxycarbonyl-O-benzylthreonine15260-10-337 % similar N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine2016-04-836 % similar (3R,4R)-3,4-Di-O-benzyl-1,5-hexadiene-3,4-diol112571-38-736 % similar

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

Same formula

tert-Butyl N-((3-(aminomethyl)phenyl)methyl)carbamate108467-99-8 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-4 (±)-Dropropizine17692-31-8 N-[3-(Diethylamino)-4-methoxyphenyl]acetamide19433-93-3 Procaine59-46-1 tert-Butyl 4-aminophenethylcarbamate94838-59-2 (R)-(+)-Dropropizine99291-24-4 Levodropropizine99291-25-5

Elsewhere

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