Basic information
- CAS
2519-75-7- Standard SMILES
CCN(CC)CCNc1ccc(C)c(Cl)c1- InChIKey
PYCSFZRHAYWHQB-UHFFFAOYSA-N- Molecular formula
- C13H21ClN2
- Average molar mass
- 240.77 g/mol
- Monoisotopic mass
- 240.1393264
Overview
Mirasan is a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- N2-(3-Chloro-4-methylphenyl)-N1,N1-diethyl-1,2-ethanediamine
- IUPAC
- N-(3-chloro-4-methylphenyl)-N',N'-diethylethane-1,2-diamine
Names & synonyms
Mirasan2519-75-7DTXSID30179859N-(3-chloro-4-methyl-phenyl)-N',N'-diethyl-ethane-1,2-diamineRefChem:927388DTXCID40102350N2-(3-Chloro-4-methylphenyl)-N1,N1-diethyl-1,2-ethanediamine1,2-Ethanediamine, N'-(3-chloro-4-methylphenyl)-N,N-diethyl-AC1Q3MLHAC1L2P7YCHEBI:6944SCHEMBL10890858
Show more names
SCHEMBL29393575N-(3-chloro-4-methylphenyl)-N',N'-diethylethane-1,2-diamineAKOS000251755Q27107368N~2~-(3-Chloro-4-methylphenyl)-N~1~,N~1~-diethylethane-1,2-diamine
Database identifiers
- CAS
2519-75-7- PubChem CID
- 75648
- DTXSID
DTXSID30179859- ChEBI
CHEBI:6944- Nikkaji
- J1.582.271F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
LogP4.14
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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