Basic information
- CAS
1185303-43-8- Standard SMILES
NCC(c1ccc(Cl)cc1)N1CCCC1.O=C(O)C(=O)O- InChIKey
WOWFWJZCMDEOEX-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O4
- Average molar mass
- 314.76 g/mol
- Monoisotopic mass
- 314.1033348
Names & identifiers
- Preferred name
- 2-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethylamine0.5 oxalate
- IUPAC
- 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
- English name
- 2-(4-CHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYLAMINE 0.5 OXALATE
- Molecular formula
- C14H17ClN2O4
- Molecular weight
- 312.74878
Names & synonyms
1185303-43-82-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethylamine0.5 oxalate2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-amine oxalate2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid1-Pyrrolidineethanamine, beta-(4-chlorophenyl)-, ethanedioate (1:1)2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethanamine oxalateDTXSID401379024AKOS026700252F2158-17721-Pyrrolidineethanamine, I(2)-(4-chlorophenyl)-, ethanedioate (1:1)2-(4-CHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYLAMINE 0.5 OXALATE
Database identifiers
- CAS
1185303-43-8- PubChem CID
- 45075211
- DTXSID
DTXSID401379024
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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