Basic information
- CAS
1063734-07-5- Standard SMILES
c1cnc(CC2CCCNC2)nc1- InChIKey
UPRVDXUSSMRSEP-UHFFFAOYSA-N- Molecular formula
- C10H15N3
- Average molar mass
- 177.25 g/mol
- Monoisotopic mass
- 177.12659749
Names & identifiers
- Preferred name
- 2-(Piperidin-3-ylmethyl)pyrimidine
- IUPAC
- 2-(piperidin-3-ylmethyl)pyrimidine
- English name
- 2-(piperidin-3-ylmethyl)pyrimidine
- Molecular formula
- C10H15N3
- Molecular weight
- 177.25
Names & synonyms
1063734-07-52-(3-Piperidylmethyl)pyrimidine2-(piperidin-3-ylmethyl)pyrimidineMFCD224039242-[(piperidin-3-yl)methyl]pyrimidineSCHEMBL3161259UPRVDXUSSMRSEP-UHFFFAOYSA-NNSB73407AC8356AKOS022969312CCG-210069DA-15871
Show more names
Pyrimidine, 2-(3-piperidinylmethyl)-
SY265263EN300-1866689
Database identifiers
- CAS
1063734-07-5- PubChem CID
- 57731945
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 281.3 · 281.3±13.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 10.13 · 10.13±0.10(Predicted)
- InChI
- 1S/C10H15N3/c1-3-9(8-11-4-1)7-10-12-5-2-6-13-10/h2,5-6,9,11H,1,3-4,7-8H2
- InChIKey
- UPRVDXUSSMRSEP-UHFFFAOYSA-N
- SMILES
- C1(CC2=NC=CC=N2)CNCCC1
- UNSPSC Code
- 12352005 · 12352005
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers3 total
韶远科技（上海）有限公司4000665055 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
5 records
Compound notes
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