Basic information
- CAS
159660-85-2- Standard SMILES
COC(=O)C1=C(N)CCN(Cc2ccccc2)C1- InChIKey
HLKWMBMESNOAMS-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Names & identifiers
- Preferred name
- Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate
- IUPAC
- methyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
- English name
- Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate, 99
- Molecular formula
- C14H18N2O2
- Molecular weight
- 246.3
Names & synonyms
159660-85-2METHYL 4-AMINO-1-BENZYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATEDTXSID30340300RefChem:355526DTXCID10291381methyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate3-Pyridinecarboxylic acid, 4-amino-1,2,5,6-tetrahydro-1-(phenylmethyl)-, methyl esterMETHYL 4-AMINO-1-BENZYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE, 99SCHEMBL3546944SBB017048AKOS024288218ST50306924
Show more names
Methyle4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylateMethyl 4-aMino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate, 99% 1GRMETHYL 4-AMINO-1-BENZYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE, 99 ISO 9001：2015 REACH
Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate #4-amino-1-benzyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl esterPyridine-3-carboxylic acid, 1,2,5,6-tetrahydro-4-amino-1-benzyl-, methyl ester
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 87 · 87-89°C
- Boiling point
- 389.31 °C · 389.31°C (rough estimate)
- Density
- 1.0836 · 1.0836 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- form
- Crystals or Crystalline Powder
- color
- Light orange
- InChI
- 1S/C14H18N2O2/c1-18-14(17)12-10-16(8-7-13(12)15)9-11-5-3-2-4-6-11/h2-6H,7-10,15H2,1H3
- InChIKey
- HLKWMBMESNOAMS-UHFFFAOYSA-N
- SMILES
- O=C(OC)C1=C(N)CCN(CC2=CC=CC=C2)C1
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- WGK Germany
- 3 · WGK 3
- HS Code
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 29333999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers8 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Compound notes
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