Basic information
- CAS
63452-56-2- Standard SMILES
NCc1ccc(O)cc1O- InChIKey
BJJYHNCUAZNAOP-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Names & identifiers
- Preferred name
- 2,4-Dihydroxybenzylamine
- IUPAC
- 4-(aminomethyl)benzene-1,3-diol
- English name
- 2,4-dihydroxybenzylamine
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
2,4-Dihydroxybenzylamine63452-56-2DTXSID70212875RefChem:82460DTXCID001353662,4-Dhba4-(aminomethyl)benzene-1,3-diol4-(aminomethyl)-1,3-benzenediol1,3-benzenediol, 4-(aminomethyl)-, hydrochloridedioxybenzylamine1,3-Benzenediol, 4-(aminomethyl)-SCHEMBL633312
Show more names
2,4-dihydroxybenzylamine.HOAc2,4-dihydroxybenzylaMine acetate4-(aminomethyl)-1,3-benzenediol 1HCl4-(aMinoMethyl)-1,3-benzenediol,acetatesalt4-(Aminomethyl)benzene-1,3-diol hydrochloride4-(aminomethyl)-1,3-benzenediol(SALTDATA: HCl)
SCHEMBL785775SCHEMBL28093183SCHEMBL30255614BJJYHNCUAZNAOP-UHFFFAOYSA-NALBB-014856STL429769AKOS000129667SB75462
Database identifiers
- CAS
63452-56-2- PubChem CID
- 124993
- DTXSID
DTXSID70212875- Nikkaji
- J342.946F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 139 · 139-140 °C
- Boiling point
- 334 · 334.0±11.0 °C(Predicted)
- Density
- 1.309 · 1.309
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.33 · 8.33±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers22 total
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海伯韵医药科技有限公司13817873692 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
天津福瑞凯科技有限公司15602163079 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
Related reactions
3 records
Compound notes
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