1-(1,3-Benzodioxol-5-yl)-1-isopropylurea

HCID 100555

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

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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