Carbazic acid, 3-benzyl-, methyl ester
Basic information
- CAS
69353-11-3- Standard SMILES
COC(=O)NNCc1ccccc1- InChIKey
TVFSXPGMAXVSDS-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- Carbazic acid, 3-benzyl-, methyl ester
- IUPAC
- methyl N-(benzylamino)carbamate
- English name
- 3-Benzylcarbazic acid methyl ester
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
69353-11-3CARBAZIC ACID, 3-BENZYL-, METHYL ESTERMethyl 3-benzylcarbazateCarbamic acid, benzylamino-, methyl esterBRN 0644996DTXSID70219420RefChem:333225DTXCID90141911methyl N-(benzylamino)carbamatemethyl 2-benzylhydrazinecarboxylateMethyl 2-benzylhydrazine-1-carboxylatestarbld0029942
Show more names
3-Benzylcarbazic acid methyl esterHydrazinecarboxylic acid, 2-(phenylmethyl)-, methyl ester
Database identifiers
- CAS
69353-11-3- PubChem CID
- 50411
- DTXSID
DTXSID70219420- Nikkaji
- J69.463K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- solubility
- DMSO; Chloroform; Ethyl Acetate; Ethanol;
- form
- Solid
- pka
- 10.46 · 10.46±0.43(Predicted)
- color
- White
Chemistry & industry
Applications
UsesMethyl 2-benzylhydrazinecarboxylate is an intermediate for the synthesis of CFM 1571 Hydrochloride (C291720), which acts as a soluble guanylyl cyclase (sGC) activator while ignoring adenylyl cyclase. Inhibits collagen-stimulated platelet aggregation in vitro.
Upstream & downstream products
Downstream products
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Compound notes
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