3-(((Pyridin-4-yl)methyl)amino)propan-1-ol
Basic information
- CAS
7251-62-9- Standard SMILES
OCCCNCc1ccncc1- InChIKey
JCRHBJDXSHWFLX-UHFFFAOYSA-N- Molecular formula
- C9H14N2O
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.11061307
Names & identifiers
- Preferred name
- 3-(((Pyridin-4-yl)methyl)amino)propan-1-ol
- IUPAC
- 3-(pyridin-4-ylmethylamino)propan-1-ol
- English name
- 3-[(Pyridin-4-ylmethyl)-amino]-propan-1-ol
- Molecular formula
- C9H14N2O
- Molecular weight
- 166.22
Names & synonyms
3-((4-pyridinylmethyl)amino)-1-propanol3-[(4-pyridinylmethyl)amino]-1-propanol3-{[(pyridin-4-yl)methyl]amino}propan-1-ol3-(((Pyridin-4-yl)methyl)amino)propan-1-olRefChem:487987881-770-27251-62-93-((Pyridin-4-ylmethyl)amino)propan-1-ol3-[(pyridin-4-ylmethyl)amino]propan-1-ol3-[(Pyridin-4-ylmethyl)-amino]-propan-1-olNSC65652NSC-65652
Show more names
AKOS LT-992X0090CHEMBRDG-BB 9071313UKRORGSYN-BB BBV-1751111-Propanol, 3-[(4-pyridinylmethyl)amino]-3-[(4-pyridinylmethyl)amino]-1-propanol(SALTDATA: HCl)
3-(4-Pyridylmethylamino)propan-1-ol3-(pyridin-4-ylmethylamino)propan-1-olNCIStruc1_000095NCIStruc2_000174SCHEMBL7973571SCHEMBL7973575CHEMBL1741893DTXSID80289932
Database identifiers
- CAS
7251-62-9- PubChem CID
- 248486
- DTXSID
DTXSID80289932- ChEMBL
CHEMBL1741893- EC Number
- 881-770-2
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
1 records
Compound notes
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