CAS 405103-02-8 6-(Propan-2-yl)pyridin-3-amine (HCID 17854288)

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Basic information

CAS: 405103-02-8
Standard SMILES: CC(C)c1ccc(N)cn1
InChIKey: XYGFISRAXLLACA-UHFFFAOYSA-N
Molecular formula: C8H12N2
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.10004838

Names & identifiers

Preferred name: 6-(Propan-2-yl)pyridin-3-amine
IUPAC: 6-propan-2-ylpyridin-3-amine
English name: 3-PYRIDINAMINE, 6-(1-METHYLETHYL)-
Molecular formula: C8H12N2
Molecular weight: 136.19

Names & synonyms

405103-02-86-(PROPAN-2-YL)PYRIDIN-3-AMINEDTXSID10591292RefChem:306931DTXCID00542056845-606-36-isopropylpyridin-3-amine3-Pyridinamine, 6-(1-methylethyl)-6-propan-2-ylpyridin-3-amine3-AMINO-6-ISOPROPYLPYRIDINE5-AMINO-2-ISOPROPYLPYRIDINEMFCD08460245

Show more names

6-lsopropylpyridin-3-aMine6-Isopropyl-3-pyridinamine5-Amino-2-isopropylpyridine 95%

6-ISOPROPYL-PYRIDIN-3-YLAMINE6-(1-Methylethyl)-3-Pyridinamine6-isopropylpyridine-3-amineSCHEMBL53712-isopropyl-5-amino-pyridine(6-isopropylpyridin-3-yl)amineXYGFISRAXLLACA-UHFFFAOYSA-N2-ISOPROPYL-5-AMINOPYRIDINE

Database identifiers

CAS: 405103-02-8
PubChem CID: 17854288
DTXSID: DTXSID10591292
EC Number: 845-606-3
Nikkaji: J2.866.876G

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Physicochemical properties

Boiling point: 255.1 · 255.1±20.0 °C(Predicted)
Density: 1.008 · 1.008±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 6.77 · 6.77±0.10(Predicted)
Appearance: Light yellow to brown Liquid
InChI: InChI=1S/C8H12N2/c1-6(2)8-4-3-7(9)5-10-8/h3-6H,9H2,1-2H3
InChIKey: XYGFISRAXLLACA-UHFFFAOYSA-N
SMILES: C1=NC(C(C)C)=CC=C1N
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.