Basic information
- CAS
23693-38-1- Standard SMILES
COc1cc(CCN)cc2c1OCO2- InChIKey
ORXQUAPZHKCCAX-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- Lophophine
- IUPAC
- 2-(7-methoxy-1,3-benzodioxol-5-yl)ethanamine
- English name
- 7-Methoxy-1,3-benzodioxole-5-ethanamine
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
Lophophine7-Methoxy-1,3-benzodioxole-5-ethanamine7-Methoxybenzo-1,3-dioxole-5-ethylamine1,3-Benzodioxole-5-ethanamine, 7-methoxy-EINECS 245-825-9UNII-C68IB79RC2MMDPEAC68IB79RC2J242.649HDTXSID801783573-methoxy-4,5-methylenedioxyphenethylamineRefChem:154083
Show more names
------RARECHEM AN KA 03177-METHOXY-1,3-BENZODIOXO-5-ETHANAMINE2-(7-methoxybenzo[d][1,3]dioxol-5-yl)ethan-1-amine
DTXCID1010084823693-38-12-(7-methoxy-1,3-benzodioxol-5-yl)ethanamine2-(7-methoxybenzo[d][1,3]dioxol-5-yl)ethanamine2-(7-METHOXY-2H-1,3-BENZODIOXOL-5-YL)ETHAN-1-AMINE2-(7-methoxy-2H-benzo[d]1,3-dioxolen-5-yl)ethylamineCHEMBL159620SCHEMBL1043816
Database identifiers
- CAS
23693-38-1- PubChem CID
- 90239
- DTXSID
DTXSID80178357- ChEMBL
CHEMBL159620- UNII
- C68IB79RC2
- EC Number
- 245-825-9
- Nikkaji
- J242.649H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- InChI
- InChI=1S/C10H13NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4-5H,2-3,6,11H2,1H3
- InChIKey
- ORXQUAPZHKCCAX-UHFFFAOYSA-N
- SMILES
- O1C2=C(OC)C=C(CCN)C=C2OC1
- FDA UNII
- 68 IB79RC2 · C68IB79RC2
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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