5-Chloronaphthalen-1-amine
Basic information
- CAS
2750-80-3- Standard SMILES
Nc1cccc2c(Cl)cccc12- InChIKey
JRFLIJXBMJNZQP-UHFFFAOYSA-N- Molecular formula
- C10H8ClN
- Average molar mass
- 177.63 g/mol
- Monoisotopic mass
- 177.03452694
Names & identifiers
- Preferred name
- 5-Chloronaphthalen-1-amine
- IUPAC
- 5-chloronaphthalen-1-amine
- English name
- 5-Chloro naphthyl-1-amine
- Molecular formula
- C10H8ClN
- Molecular weight
- 177.63
Names & synonyms
5-chloronaphthalen-1-amine2750-80-3DTXSID90403465RefChem:302660DTXCID603543191-Naphthalenamine, 5-chloro-5-chloro-1-naphthalenamineMFCD010264641-Amino-5-chloronaphthalene5-chloro-1-naphthylamineSCHEMBL3183644CHEMBL4860923
Show more names
5-Chloro naphthyl-1-amine1-Chloro-5-aminonaphthalene10016 5-CHLORO NAPHTHALENE-1-AMINE
BDBM505713695-Chloro-naphthalen-1-ylamine5-Chloronapht5-chloronaphthylamine5-Chloronaphthyl-1-amineBB 0246847FT-0649482SCHEMBL29418802
Database identifiers
- CAS
2750-80-3- PubChem CID
- 4455053
- DTXSID
DTXSID90403465- ChEMBL
CHEMBL4860923
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 85 °C · 85 °C(Solv: ethanol (64-17-5))
- Boiling point
- 336.4 · 336.4±17.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.35 · 3.35±0.10(Predicted)
- color
- Off-White to Pale Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-P305+P351+P338
Chemistry & industry
Applications
Uses5-Chloronaphthalen-1-amine can be used as KRas G12D inhibitors.
Suppliers
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Related reactions
9 records
Compound notes
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