3-Methyl-2-{[(pyridin-2-yl)methyl]amino}butanoic acid dihydrochloride
Basic information
- CAS
1396965-89-1- Standard SMILES
CC(C)C(NCc1ccccn1)C(=O)O.Cl.Cl- InChIKey
KMOGTWVIDSEYRW-UHFFFAOYSA-N- Molecular formula
- C11H18Cl2N2O2
- Average molar mass
- 281.18 g/mol
- Monoisotopic mass
- 280.0745332
Names & identifiers
- Preferred name
- 3-Methyl-2-{[(pyridin-2-yl)methyl]amino}butanoic acid dihydrochloride
- IUPAC
- 3-methyl-2-(pyridin-2-ylmethylamino)butanoic acid;dihydrochloride
- English name
- 3-methyl-2-{[(pyridin-2-yl)methyl]amino}butanoic acid dihydrochloride
- Molecular formula
- C11H17ClN2O2
- Molecular weight
- 244.72
Names & synonyms
3-methyl-2-{[(pyridin-2-yl)methyl]amino}butanoic acid dihydrochloride3-methyl-2-(((pyridin-2-yl)methyl)amino)butanoic acid dihydrochloride3-METHYL-2-([(PYRIDIN-2-YL)METHYL]AMINO)BUTANOIC ACID DIHYDROCHLORIDERefChem:503581999-297-61396965-89-13-methyl-2-[(pyridin-2-ylmethyl)amino]butanoic acid dihydrochloride(Pyridin-2-ylmethyl)valine dihydrochloride3-methyl-2-(pyridin-2-ylmethylamino)butanoic acid;dihydrochlorideDTXSID601375511WFC96589MFCD11798836
Show more names
N-(2-Pyridinylmethyl)-DL-valine 2HCl
AKOS008090842N-(2-Pyridinylmethyl)-DL-valine diHCl(Pyridin-2-ylmethyl)valinedihydrochlorideEN300-42111G42109Valine, N-(2-pyridinylmethyl)-, hydrochloride (1:2)Z426041522
Database identifiers
- CAS
1396965-89-1- PubChem CID
- 42935482
- DTXSID
DTXSID601375511- EC Number
- 999-297-6
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 207
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (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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