3-Ethoxybenzene-1,2-diamine

HCID 437573CAS 191849-71-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cccc(N)c1N
InChIKey
GBMGXXPFNLJLMP-UHFFFAOYSA-N
Molecular formula
C8H12N2O
Average molar mass
152.19 g/mol
Monoisotopic mass
152.09496301

Names & identifiers

Preferred name
3-Ethoxybenzene-1,2-diamine
IUPAC
3-ethoxybenzene-1,2-diamine
English name
3-ETHOXYBENZENE-1,2-DIAMINE
Molecular formula
C8H12N2O
Molecular weight
152.19

Names & synonyms

3-ethoxybenzene-1,2-diamine191849-71-51,2-Benzenediamine, 3-ethoxy-MFCD097014493-Ethoxy-benzene-1,2-diamineSCHEMBL293754SCHEMBL1838872DTXSID80331344GBMGXXPFNLJLMP-UHFFFAOYSA-NAKOS006330355SB76458BS-50454
Show more names
DB-366448CS-0196927EN300-2995476F472264A1-03862

Database identifiers

CAS
191849-71-5
PubChem CID
437573
DTXSID
DTXSID80331344

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
61.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
298.1 · 298.1±20.0 °C(Predicted)
Density
1.131 · 1.131±0.06 g/cm3(Predicted)
pka
4.05 · 4.05±0.10(Predicted)
form
powder
color
Orange

Chemistry & industry

Suppliers7 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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