CAS 41995-30-6 3,5-Dimethylpyridin-2-amine (HCID 3016310)

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Basic information

CAS: 41995-30-6
Standard SMILES: Cc1cnc(N)c(C)c1
InChIKey: NLDDLJBGRZJASZ-UHFFFAOYSA-N
Molecular formula: C7H10N2
Average molar mass: 122.17 g/mol
Monoisotopic mass: 122.08439833

Names & identifiers

Preferred name: 3,5-Dimethylpyridin-2-amine
IUPAC: 3,5-dimethylpyridin-2-amine
English name: 3,5-dimethylpyridin-2-amine
Molecular formula: C7H10N2
Molecular weight: 122.17

Names & synonyms

3,5-Dimethylpyridin-2-amine41995-30-63,5-Dimethyl-2-pyridinamineEINECS 255-613-8DTXSID50194802RefChem:487050DTXCID50117293255-613-82-AMINO-3,5-DIMETHYLPYRIDINEMFCD110403412-amino-3,5-dimethyl pyridineCHEMBL61430

Show more names

3,5-Dimethylpyridin-2-ylamine2-Amino-3,5-dimethylpyridine≥ 99% (HPLC)

SCHEMBL914502-PYRIDINAMINE, 3,5-DIMETHYL-2-Pyridinamine,3,5-dimethyl-3,5-Dimethyl-pySCHEMBL316199213,5-Dimethyl-pyridin-2-ylamine3,5-dimethyl-pyridin-2-yl-amineBDBM50091815

Database identifiers

CAS: 41995-30-6
PubChem CID: 3016310
DTXSID: DTXSID50194802
ChEMBL: CHEMBL61430
EC Number: 255-613-8
Nikkaji: J278.305C

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 92

Physicochemical properties

Boiling point: 110 °C · 110 °C(Press: 10 Torr)
Density: 1.039 · 1.039±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 7.35 · 7.35±0.49(Predicted)
Appearance: White to light yellow Solid
InChI: InChI=1S/C7H10N2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3,(H2,8,9)
InChIKey: NLDDLJBGRZJASZ-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(C)C=C1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.