(5-Methyl-3-phenyl-4-isoxazolyl)methylamine
Basic information
- CAS
306935-01-3- Standard SMILES
Cc1onc(-c2ccccc2)c1CN- InChIKey
KJGJWCJXSLAKKS-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.094963
Names & identifiers
- Preferred name
- (5-Methyl-3-phenyl-4-isoxazolyl)methylamine
- IUPAC
- (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine
- English name
- (5-Methyl-3-phenyl-4-isoxazolyl)methylamine
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
306935-01-3(5-METHYL-3-PHENYL-4-ISOXAZOLYL)METHYLAMINE(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine(5-Methyl-3-phenylisoxazol-4-yl)methanamineMFCD026776874-Isoxazolemethanamine,5-methyl-3-phenyl-4-Isoxazolemethanamine, 5-methyl-3-phenyl-(5-methyl-3-phenylisoxazol-4-yl)methylamine1-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)methanamineSDCCGMLS-0065905.P001SCHEMBL286436DTXSID20379846
Show more names
4-(AMINOMETHYL)-5-METHYL-3-PHENYLISOXAZOLE1-(5-methyl-3-phenylisoxazol-4-yl)methanamine1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)METHYLAMINE4-(Aminomethyl)-5-methyl-3-phenylisoxazole, (5-Methyl-3-phenyl-1,2-oxazol-4-yl)methylamine
KJGJWCJXSLAKKS-UHFFFAOYSA-NSBB090802AKOS006228240PS-4242(5-methyl-3-phenyl-isoxazol-4-yl)methanamine[(5-methyl-3-phenylisoxazol-4-yl)methyl]amine(5-methyl-3-phenyl-4-isoxazolyl)methylamine, AldrichCPR
Database identifiers
- CAS
306935-01-3- PubChem CID
- 2776151
- DTXSID
DTXSID20379846- Nikkaji
- J2.243.440C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 66 · 66-68°C
- form
- powder
- color
- Pale yellow
- InChI
- 1S/C11H12N2O/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3
- InChIKey
- KJGJWCJXSLAKKS-UHFFFAOYSA-N
- SMILES
- Cc1onc(-c2ccccc2)c1CN
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P260-P271
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 34 · 34-41-37/38-22
- Safety Statements
- 26 · 26-36/37/39-39
- RIDADR
- 3259 · 3259
- WGK Germany
- 3 · WGK 3
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
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
- wgk
- WGK 3
- ridadr
- 3259
- hs_code
- 2934999090
- risk_code
- 34-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-39
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H314
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P260-P271
Suppliers
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Related reactions
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Compound notes
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