HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Hydrazinecarboxylic acid, (2-methyl-1-phenylpropylidene)-, methyl ester

HCID 5000637
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
88692-98-2
Standard SMILES
COC(=O)NN=C(c1ccccc1)C(C)C
InChIKey
CFNWVBVEKMKDRP-UHFFFAOYSA-N
Molecular formula
C12H16N2O2
Average molar mass
220.27 g/mol
Monoisotopic mass
220.12117776

Names & identifiers

Preferred name
Hydrazinecarboxylic acid, (2-methyl-1-phenylpropylidene)-, methyl ester
IUPAC
methyl N-[(2-methyl-1-phenylpropylidene)amino]carbamate

Names & synonyms

88692-98-2Hydrazinecarboxylic acid, (2-methyl-1-phenylpropylidene)-, methyl esterDTXSID70407401CFNWVBVEKMKDRP-UHFFFAOYSA-Nmethyl-[3-(isopropylbenzylidene)]-carbazatemethyl-[3-(alpha-isopropylbenzylidene)]-carbazateMethyl 2-(2-methyl-1-phenylpropylidene)hydrazine-1-carboxylate

Database identifiers

CAS
88692-98-2
PubChem CID
5000637
DTXSID
DTXSID70407401

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
50.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
256

Related reactions

3 records
New reaction record
HRID 677149 reaction equation
HRID 677149As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1589411 reaction equation
HRID 1589411As productuspto-grants-1986_02
HRID 2290761 reaction equation
HRID 2290761As productuspto-grants-1986_10

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes