CAS 13623-87-5 1,2,3,4-Tetrahydro-1,8-naphthyridine (HCID 13047367)

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Basic information

CAS: 13623-87-5
Standard SMILES: c1cnc2c(c1)CCCN2
InChIKey: ZCZVGQCBSJLDDS-UHFFFAOYSA-N
Molecular formula: C8H10N2
Average molar mass: 134.18 g/mol
Monoisotopic mass: 134.08439832

Names & identifiers

Preferred name: 1,2,3,4-Tetrahydro-1,8-naphthyridine
IUPAC: 1,2,3,4-tetrahydro-1,8-naphthyridine
English name: 1,2,3,4-TETRAHYDRO-1,8-NAPHTHYRIDINE
Molecular formula: C8H10N2
Molecular weight: 134.18

Names & synonyms

1,2,3,4-tetrahydro-1,8-naphthyridine13623-87-5DTXSID70516325RefChem:71296DTXCID80467132850-751-01,2,3,4-tetrahydro-[1,8]naphthyridine1,8-Naphthyridine, 1,2,3,4-tetrahydro-MFCD08234598tetrahydronaphthyridinetetrahydro-naphthyridineSCHEMBL38950

Show more names

1,2,3,4-Tetrahydro-1,8phthyridine1,5,6,7-tetrahydro-1,8-naphthyridine

SCHEMBL171558SCHEMBL222424SCHEMBL317969SCHEMBL325377SCHEMBL326343SCHEMBL2072448SCHEMBL3689418SCHEMBL3732521

Database identifiers

CAS: 13623-87-5
PubChem CID: 13047367
DTXSID: DTXSID70516325
ChEMBL: CHEMBL4553176
EC Number: 850-751-0

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Physicochemical properties

Boiling point: 96 °C · 96 °C(Press: 0.6 Torr)
Density: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 10.81 · 10.81±0.20(Predicted)
Appearance: White to light yellow Solid
InChI: 1S/C8H10N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1,3,5H,2,4,6H2,(H,9,10)
InChIKey: ZCZVGQCBSJLDDS-UHFFFAOYSA-N
SMILES: C12=NC=CC=C1CCCN2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H312-H332-H302-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H312-H332-H302-H335-H319
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501