Basic information
- CAS
33095-94-2- Standard SMILES
CC(C)N(C(N)=O)c1ccc2c(c1)OCO2- InChIKey
CHOBLILHXVGGLT-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-1-propan-2-ylurea
- English name
- 1-(1,3-benzodioxol-5-yl)-1-isopropylurea
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24046
Names & synonyms
1-(1,3-Benzodioxol-5-yl)-1-isopropylurea33095-94-24KS9LY6J52EINECS 251-378-0NSC-319013Urea, N-1,3-benzodioxol-5-yl-N-(1-methylethyl)-DTXSID20186754NSC 3190131-(BENZO(D)(1,3)DIOXOL-5-YL)-1-ISOPROPYLUREAN-1,3-BENZODIOXOL-5-YL-N-(1-METHYLETHYL)UREAN-ISOPROPYL-N-(3,4-(METHYLENEDIOXY)PHENYL)UREAUREA, 1-ISOPROPYL-1-(3,4-(METHYLENEDIOXY)PHENYL)-
Show more names
1-(1,3-benzodioxol-5-yl)-1-propan-2-ylurea
N-isopropyl-N-[3,4-(methylenedioxy)phenyl]ureaRefChem:73872DTXCID60109245251-378-0NSC319013UNII-4KS9LY6J52SCHEMBL3521407AKOS024341690
Database identifiers
- CAS
33095-94-2- PubChem CID
- 100555
- DTXSID
DTXSID20186754- UNII
- 4KS9LY6J52
- EC Number
- 251-378-0
- Nikkaji
- J236.373I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- FDA UNII
- 4 KS9LY6J52 · 4KS9LY6J52
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
31 records
Compound notes
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