Basic information
- CAS
1539-39-5- Standard SMILES
c1cc(CNCc2ccncc2)ccn1- InChIKey
AUQQZPGNRKTPSQ-UHFFFAOYSA-N- Molecular formula
- C12H13N3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.11094743
Overview
Gapicomine is a small molecule drug. Gapicomine has a monoisotopic molecular weight of 199.11 Da.
Names & identifiers
- Preferred name
- N-(4-Pyridinylmethyl)-4-pyridinemethanamine
- IUPAC
- 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanamine
- English name
- Gapicomine
- Molecular formula
- C12H13N3
- Molecular weight
- 199.25
Names & synonyms
Gapicomine1539-39-5GapicominaGapicominumWWW0P953934-Pyridinemethanamine, N-(4-pyridinylmethyl)-DTXSID10165477N-(4-Pyridinylmethyl)-4-pyridinemethanamineRefChem:926892DTXCID3087968N-(4-Pyridinylmethyl)-4-pyridinemethanamine, 2-hydroxy-1,2,3-propanetricarboxylatebis(pyridin-4-ylmethyl)amine
Show more names
Gapicomine USP/EP/BP1-(4-pyridinyl)-N-(4-pyridinylmethyl)methanamine 1HCl1-(4-pyridinyl)-N-(4-pyridinylmethyl)methanamine(SALTDATA: HCl)1-(4-pyridinyl)-N-(4-pyridinylMethyl)MethanaMine hydrochloride (SALTDATA: HCl)
1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanamineGapicomine [INN]Gapicominum [INN-Latin]MFCD00868302di(4-picolyl)amine1-(4-pyridinyl)-N-(4-pyridinylmethyl)methanamineSTK513184CS-0157392
Database identifiers
- CAS
1539-39-5- PubChem CID
- 68955
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 164 · 164-166 °C(Press: 0.23 Torr)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 5.8 · 5.80±0.20(Predicted)
- FDA UNII
- 0 P95393 · WWW0P95393
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
Chemistry & industry
Suppliers23 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
郑州阿尔法化工有限公司13333829863 13333829863 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Related reactions
1 records
Compound notes
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