3-Amino-4-chloro-N-cyclopropylbenzene-1-carboximidic acid
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Basic information
- CAS
63887-21-8- Standard SMILES
Nc1cc(C(=O)NC2CC2)ccc1Cl- InChIKey
NNXCOYJTMBYPGP-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O
- Average molar mass
- 210.66 g/mol
- Monoisotopic mass
- 210.0559907
Names & identifiers
- Preferred name
- 3-Amino-4-chloro-N-cyclopropylbenzene-1-carboximidic acid
- IUPAC
- 3-amino-4-chloro-N-cyclopropylbenzamide
- English name
- 3-amino-4-chloro-N-cyclopropylbenzamide
- Molecular formula
- C10H11ClN2O
- Molecular weight
- 210.66
Names & synonyms
63887-21-8DTXSID909807863-Amino-4-chloro-N-cyclopropylbenzene-1-carboximidic acidRefChem:1067310DTXCID4014080593-Amino-4-chloro-N-cyclopropylbenzamideBRN 2724492BENZAMIDE, 3-AMINO-4-CHLORO-N-CYCLOPROPYL-3-amino-4-chloro-N-cyclopropyl-benzamideMFCD01666676AKOS000134476DA-04109
Show more names
CS-0365873F53472A1-07286
Database identifiers
- CAS
63887-21-8- PubChem CID
- 45034
- DTXSID
DTXSID90980786- Nikkaji
- J149.002H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 371.6 · 371.6±32.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 14.13 · 14.13±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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