CAS 154016-48-5 1-(5-Methyl-1,2-oxazol-3-yl)methanamine (HCID 2776306)

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Basic information

CAS: 154016-48-5
Standard SMILES: Cc1cc(CN)no1
InChIKey: AZVWIMLQRLKLHH-UHFFFAOYSA-N
Molecular formula: C5H8N2O
Average molar mass: 112.13 g/mol
Monoisotopic mass: 112.06366288

Names & identifiers

Preferred name: 1-(5-Methyl-1,2-oxazol-3-yl)methanamine
IUPAC: (5-methyl-1,2-oxazol-3-yl)methanamine
English name: (5-Methyl-3-isoxazolyl)methylamine
Molecular formula: C5H8N2O
Molecular weight: 112.13

Names & synonyms

1-(5-methyl-1,2-oxazol-3-yl)methanamineDTXSID90379974RefChem:1054517DTXCID20331000154016-48-5(5-Methyl-3-isoxazolyl)methylamine(5-methylisoxazol-3-yl)methanamine(5-methyl-1,2-oxazol-3-yl)methanamine(5-Methylisoxazol-3-yl)methylamine5-methyl-3-isoxazolemethanaminec-(5-methyl-isoxazol-3-yl)-methylamine3-(AMINOMETHYL)-5-METHYLISOXAZOLE

Show more names

AKOS PAO-1448CHEMBRDG-BB 4003548(5-Methyl-3-isoxazolyi)MethylaMine(5-methyl-3-isoxazolyl)methanamine5-Methyl-3-isoxazolemethylamine, 97%

MFCD026819953-Isoxazolemethanamine, 5-methyl-1-(5-methylisoxazol-3-yl)methanamineA1IWRSCHEMBL56595orb3030349SCHEMBL4706201AZVWIMLQRLKLHH-UHFFFAOYSA-N

Database identifiers

CAS: 154016-48-5
PubChem CID: 2776306
DTXSID: DTXSID90379974
EC Number: 638-892-4

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 76.8

Physicochemical properties

Boiling point: 54 · 54-56°C 0,7mm
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Hazard Codes: Xi,C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · 2735
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090
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

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Safety data

ridadr: 2735
hs_code: 2934999090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,C
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Hazard statements: H314
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: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501