Basic information
- CAS
73987-05-0- Standard SMILES
NC1COC(c2ccc(Cl)cc2)OC1- InChIKey
ZYMZZRRMIXHSOA-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- m-Dioxan-5-amine, 2-(p-chlorophenyl)-
- IUPAC
- 2-(4-chlorophenyl)-1,3-dioxan-5-amine
- English name
- 2-(4-Chlorophenyl)-1,3-dioxan-5-amine
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 0
Names & synonyms
73987-05-0m-DIOXAN-5-AMINE, 2-(p-CHLOROPHENYL)-DTXSID70224756RefChem:1088679DTXCID001472472-(4-chlorophenyl)-1,3-dioxan-5-amine5-Amino-chlorophenyl-1,3-dioxaneNSC 2314921,3-Dioxan-5-amine, 2-(4-chlorophenyl)-NSC231492starbld0020953CHEMBL245812
Show more names
Reaxys ID: 25991302
CHEMBL396121orb1985659SCHEMBL14275879WLN: T6O COTJ BR DG& EZAKOS023895797NSC-231492T33249
Database identifiers
- CAS
73987-05-0- PubChem CID
- 52839
- DTXSID
DTXSID70224756- ChEMBL
CHEMBL245812、CHEMBL396121- Nikkaji
- J69.171B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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