Methyl N-(4-methylpyridin-3-yl)carbamate

HCID 11672725CAS 694495-63-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)Nc1cnccc1C
InChIKey
FTEFYIXMXZZAGN-UHFFFAOYSA-N
Molecular formula
C8H10N2O2
Average molar mass
166.18 g/mol
Monoisotopic mass
166.07422756

Names & identifiers

Preferred name
Methyl N-(4-methylpyridin-3-yl)carbamate
IUPAC
methyl N-(4-methyl-3-pyridinyl)carbamate
English name
3-Methoxycarbonylamino-4-methylpyridine
Molecular formula
C8H10N2O2
Molecular weight
166.18

Names & synonyms

Methyl N-(4-methylpyridin-3-yl)carbamate694495-63-1DTXSID20470362RefChem:356738DTXCID50421180methyl (4-methylpyridin-3-yl)carbamateMethyl 4-methylpyridin-3-ylcarbamateMFCD09030045Carbamic acid, (4-methyl-3-pyridinyl)-, methyl esterTofacitinib Related Impurity 3methyl(4-methylpyridin-3-yl)carbamate3-Methoxycarbonylamino-4-methylpyridine
Show more names
Tofatinib Impurity 9Tofacitinib Impurity 76methyl N-(4-methyl-3-pyridyl)carbamate
Methyl (4-Methyl-3-pyridyl)carbamateMethyl (4-methyl-3-pyridinyl)carbamateSCHEMBL692100FTEFYIXMXZZAGN-UHFFFAOYSA-NCS-M3531AKOS006283447ME-0097SY060891

Database identifiers

CAS
694495-63-1
PubChem CID
11672725
DTXSID
DTXSID20470362

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
51.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
117 · 117~118℃
Boiling point
227.8 · 227.8±28.0 °C(Predicted)
Density
1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
12.94 · 12.94±0.70(Predicted)
Appearance
Light yellow to brown Solid

Safety & regulation

Safety data

hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302+H312+H332
Precautionary statements
P260-P280-P312

Chemistry & industry

Applications

UsesMethyl 4-Methylpyridin-3-ylcarbamate can be used as JAK3 inhibitors for its immunosuppressant properties.

Upstream & downstream products

Suppliers50 total

宁波振岳医药科技有限公司19817745290 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

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