CAS 51467-70-0 2,4,6-Trimethyl-3-pyridinamine (HCID 98846)

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Basic information

CAS: 51467-70-0
Standard SMILES: Cc1cc(C)c(N)c(C)n1
InChIKey: MHUDSAALSISURX-UHFFFAOYSA-N
Molecular formula: C8H12N2
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.10004838

Names & identifiers

Preferred name: 2,4,6-Trimethyl-3-pyridinamine
IUPAC: 2,4,6-trimethylpyridin-3-amine
English name: 2,4,6-Trimethylpyridin-3-amine
Molecular formula: C8H12N2
Molecular weight: 136.19

Names & synonyms

2,4,6-Trimethyl-3-pyridinamineRefChem:442952809-451-52,4,6-trimethylpyridin-3-amine51467-70-03-Pyridinamine, 2,4,6-trimethyl-MFCD052570152,4,6-trimethyl-3-pyridylamine2,4,6-trimethyl-3-amino-pyridineNSC170626NSC 170626SCHEMBL5844082

Show more names

2.4.6-TRIMETHYL-3-AMINOPYRIDINE(2,4,6-trimethyl-3-pyridyl)amine2,4,6-trimethyl-pyridin-3-ylamine2,4,6-trimethylpyridin-3-amine(SALTDATA: FREE)2,4,6-Trimethylpyridin-3-amine ISO 9001：2015 REACH

SCHEMBL28173755SCHEMBL29512854DTXSID00199443MHUDSAALSISURX-UHFFFAOYSA-N3-Amino-2,4,6-trimethylpyridineALBB-010288SBB050303STK520591

Database identifiers

CAS: 51467-70-0
PubChem CID: 98846
DTXSID: DTXSID00199443
EC Number: 809-451-5

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Physicochemical properties

Melting point: 66 °C · 66 °C
Boiling point: 244 °C · 244 °C
Density: 1.018 · 1.018±0.06 g/cm3(Predicted)
pka: 8.26 · 8.26±0.18(Predicted)
form: solid
InChI: InChI=1S/C8H12N2/c1-5-4-6(2)10-7(3)8(5)9/h4H,9H2,1-3H3
InChIKey: MHUDSAALSISURX-UHFFFAOYSA-N
SMILES: C1(C)=NC(C)=CC(C)=C1N
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xn
Risk Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.