Basic information
- CAS
122413-32-5- Standard SMILES
OC(CN(Cc1ccccn1)Cc1ccccn1)CN(Cc1ccccn1)Cc1ccccn1- InChIKey
XLUMWNJFCFABKI-UHFFFAOYSA-N- Molecular formula
- C27H30N6O
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.2481096
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3-Bis(bis(pyridin-2-ylmethyl)amino)propan-2-ol
- IUPAC
- 1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol
- English name
- 1 3-Bis[bis(2-pyridylmethyl)amino]-2-Pro
- Molecular formula
- C27H30N6O
- Molecular weight
- 454.57
Names & synonyms
1,3-bis(bis(pyridin-2-ylmethyl)amino)propan-2-ol1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-olDTXSID90432139phos-tagbis-bisPMAPRefChem:72518DTXCID90382968122413-32-51 3-BIS[BIS(2-PYRIDYLMETHYL)AMINO]-2-PRO1,3-Bis[bis(2-pyridylmethyl)amino]-2-propanolSCHEMBL3165365F96393
Show more names
2-Propanol, 1,3-bis[bis(2-pyridinylmethyl)amino]-1,3-Bis[bis(2-pyridylmethyl)amino]-2-propanol solution1,3-Bis[bis(2-pyridylmethyl)amino]-2-propanol, 10% solution in 2-propanol1,3-Bis[bis(2-pyridylmethyl)amino]-2-propanol solution purum, >=97.0% (HPLC), 10% in isopropanol
1,3-Bis{bis[(pyridin-2-yl)methyl]amino}propan-2-olN,N,N',N'-tetrakis(2-pyridylmethyl)-2-hydroxy-1,3-diaminopropane
Database identifiers
- CAS
122413-32-5- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Density
- 0.817 g/mL · 0.817 g/mL at 20 °C(lit.)
- Flash point
- 12 °C · 12 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36-67
- Safety Statements
- 16 · 16-26
- RIDADR
- 1219 · UN 1219 3/PG 2
- WGK Germany
- 1 · 1
- F
- 2 · 2-10
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
- F
- 2-10
- wgk
- 1
- ridadr
- UN 1219 3/PG 2
- risk_code
- 11-36-67
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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