Completing data — refresh the page later to see the latest
Basic information
- CAS
487-19-4- Standard SMILES
Cn1cccc1-c1cccnc1- InChIKey
RYFOJXFXERAMLS-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Names & identifiers
- Preferred name
- Nicotyrine
- IUPAC
- 3-(1-methylpyrrol-2-yl)pyridine
- English name
- B-NICOTYRINE
- Molecular formula
- C10H10N2
- Molecular weight
- 158.2
Names & synonyms
Nicotyrinebeta-Nicotyrine487-19-43-(1-Methyl-1H-pyrrol-2-yl)pyridine3,2'-NicotyrinePyridine, 3-(1-methyl-1H-pyrrol-2-yl)-XN4R1LH79YNSC-127943NSC-407276DTXSID3075048RefChem:43270DTXCID4040638
Show more names
β-Nicotyrine3,2’-nicotyrinealpha-nicotyrineBETA-NITROTYRINENicotine Impurity B
3-(1-Methylpyrrol-2-yl)pyridineB-NICOTYRINE3-(1-Methyl-2-pyrrolyl)pyridine1-Methyl-2-(3-pyridyl)pyrrole.beta.-NicotyrineNSC 127943ss-NicotyrineMFCD00468104
Database identifiers
- CAS
487-19-4- PubChem CID
- 10249
- DTXSID
DTXSID3075048- ChEMBL
CHEMBL1522291- ChEBI
CHEBI:7564- UNII
- XN4R1LH79Y
- EC Number
- 207-651-1
- Nikkaji
- J6.018F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 168 · 168-169 °C
- Boiling point
- 78 · 78-80°C/0/15mm
- Density
- 1.241 · 1.2410
- refractive index
- 1.6057 · 1.6057 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
- form
- Oil
- pka
- 1 · pK1:4.76(+1) (25°C)
- color
- Pale Yellow to Brown to Dark Orange
- Stability
- Light, Air Sensitive
- InChI
- InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3
- InChIKey
- RYFOJXFXERAMLS-UHFFFAOYSA-N
- SMILES
- C1=NC=CC=C1C1=CC=CN1C
- FDA UNII
- 4 R1LH79Y · XN4R1LH79Y
- EPA Substance Registry System
- 3 · Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)- (487-19-4)
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
- hs_code
- 2939800000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Applications
DescriptionThe occurrence of this alkaloid in the cigar type of tobacco has been reported by Wenusch and subsequently confirmed by Spath and Kesztler. It forms a colour_x0002_less oil when pure and yields crystalline salts and derivatives, e.g. the p1atinichloride, m.p. 158°C; picrate, m.p. 170-1 °c and the methiodide, m.p. 2l1-3°e. It may also be prepared from nicotine by oxidation with silver oxide, silver acetate or potassium ferricyanide. With Zn and HCI, the base is reduced to nicotine and 4:5-dihydronicotyrine, b.p. 244-6°C, yielding a dipicrate, m.p. l64°e. In the presence of prepared Pt02, the latter may be further reduced to dihydrometanicotine, the dipicrate of which has m.p. 161-2°C. Nicotyrine may be converted directly into nicotine in one operation by controlled hydrogenation in the presence on Pd-e
UsesNicotryrine is an alkaloid derived from the dehydrogenation of nicotine and its analog, nornicotine. An alkaloid occurring in cigaret smoke.
Upstream & downstream products
Downstream products
Suppliers48 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
江西凯信生物医药有限公司0797-2111676 18890136722 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
1 records
Compound notes
Loading…