CAS 206989-41-5 3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine (HCID 9877599)

Substructure search Find similar structures

Basic information

CAS: 206989-41-5
Standard SMILES: NCCCc1ccc2c(n1)NCCC2
InChIKey: BWMYVZPZPGAOPC-UHFFFAOYSA-N
Molecular formula: C11H17N3
Average molar mass: 191.27 g/mol
Monoisotopic mass: 191.14224754

Overview

structure in first source

Names & identifiers

Preferred name: 3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
IUPAC: 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
English name: 5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propylamine
Molecular formula: C11H17N3
Molecular weight: 191.27

Names & synonyms

206989-41-53-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amineRefChem:4934443-(THN)PA676-174-25,6,7,8-Tetrahydro-1,8-naphthyridin-2-propylamine5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPYLAMINE 2HCL1,8-NAPHTHYRIDINE-2-PROPANAMINE, 5,6,7,8-TETRAHYDRO-MFCD041153593-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propylamineSCHEMBL4716711SCHEMBL6896978

Show more names

8-Naphthyridin-2-propylaMine3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)-1-propanamine3-(1,5,6,7-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propane-1-amine

DTXSID90432179BWMYVZPZPGAOPC-UHFFFAOYSA-NAKOS006343005MB03306SY474447DB-066300CS-0199832EN300-2670940

Database identifiers

CAS: 206989-41-5

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 172

Physicochemical properties

Melting point: 66 · 66-68.5 °C
Boiling point: 407.2 · 407.2±37.0 °C(Predicted)
Density: 1.2 · 1.20±0.1 g/cm3(Predicted)
pka: 10.81 · 10.81±0.10(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): 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.