(R)-3-Amino-5-methyl-hexanoic acid
Basic information
- CAS
3653-34-7- Standard SMILES
CC(C)C[C@@H](N)CC(=O)O- InChIKey
MLYMSIKVLAPCAK-ZCFIWIBFSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- (R)-3-Amino-5-methyl-hexanoic acid
- IUPAC
- (3R)-3-amino-5-methylhexanoic acid
- English name
- (R)-3-AMINO-5-METHYL-HEXANOIC ACID
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
91298-67-8(R)-3-Amino-5-methyl-hexanoic acidDTXSID80426163RefChem:210897DTXCID80376997(r)-3-amino-5-methylhexanoic acid(3R)-3-amino-5-methylhexanoic acidMFCD01076255(3r)-3-amino-5-methyl-hexanoic acid(R)-3-Amino-5-methylhexanoicacidSCHEMBL2763515(3R)-3-azaniumyl-5-methylhexanoate
Show more names
(R)-3-amino-5-methylhexanoic acid HClHexanoic acid, 3-amino-5-methyl-, (3R)-(R)-3-Amino-5-methyl-hexanoic acid - [A91077]
Metyl thiobutyrateYRK4ZD4U6TAKOS01684(3R)-3-azaniumyl-5-methyl-hexanoateAKOS0168430133-Amino-5-methyl-hexanoic acid, (R)-AS-35963SY254215
Database identifiers
- CAS
3653-34-7、91298-67-8- PubChem CID
- 6934243
- DTXSID
DTXSID80426163- UNII
- YRK4ZD4U6T
- EC Number
- 625-658-1、676-223-8
- Nikkaji
- J56.564D
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 249.1 · 249.1±23.0 °C(Predicted)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.81 · 3.81±0.10(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- -29.2634 ° · -29.2634°(C=1.0045 g/100mL H2O)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- RIDADR
- 3259 · UN3259
- HazardClass
- IRRITANT
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Sens. 1 (97.5%)
Skin Irrit. 2 (100%)
Safety data
- ridadr
- UN3259
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses(R)-3-Amino-5-methylhexanoic Acid can be known to have Kras inhibiting action.
Suppliers
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Related reactions
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Compound notes
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