2-[(Pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride
Basic information
- CAS
1396962-67-6- Standard SMILES
CC(NCc1cccnc1)C(=O)O.Cl.Cl- InChIKey
DHHBAIPCAQDYQG-UHFFFAOYSA-N- Molecular formula
- C9H14Cl2N2O2
- Average molar mass
- 253.12 g/mol
- Monoisotopic mass
- 252.0432331
Names & identifiers
- Preferred name
- 2-[(Pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride
- IUPAC
- 2-(pyridin-3-ylmethylamino)propanoic acid;dihydrochloride
- English name
- 2-[(pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride
- Molecular formula
- C9H13ClN2O2
- Molecular weight
- 216.67
Names & synonyms
1396962-67-62-[(pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride2-{[(pyridin-3-yl)methyl]amino}propanoic acid dihydrochloride2-(pyridin-3-ylmethylamino)propanoic acid;dihydrochlorideSCHEMBL8439652WFC96267AKOS008090980EN300-422402-[(pyridin-3-ylmethyl)amino]propanoicaciddihydrochlorideZ440613690
Database identifiers
- CAS
1396962-67-6- PubChem CID
- 42935501
- EC Number
- 113-698-8
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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