8-Pentadecanamine

HCID 232907

Notes Reactions

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Basic information

CAS: 18618-64-9
Standard SMILES: CCCCCCCC(N)CCCCCCC
InChIKey: NTPSQPZXFVRULZ-UHFFFAOYSA-N
Molecular formula: C15H33N
Average molar mass: 227.43 g/mol
Monoisotopic mass: 227.26130006

Names & identifiers

Preferred name: 8-Pentadecanamine
IUPAC: pentadecan-8-amine
English name: pentadecan-8-aMine
Molecular formula: C15H33N
Molecular weight: 227.43

Names & synonyms

8-Pentadecanamine1-heptyloctylamineDTXSID70283323RefChem:548382DTXCID50234474621-945-0pentadecan-8-amine18618-64-9MFCD000871978-aminopentadecaneNSC30884SCHEMBL201779

Show more names

SCHEMBL7764720NSC 30884NSC-30884AKOS024333783DS-006064P2543

Database identifiers

CAS: 18618-64-9
PubChem CID: 232907
DTXSID: DTXSID70283323
EC Number: 621-945-0
Nikkaji: J2.263.777K

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 12
Heavy atoms: 16
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 117 °C/2mmHg · 117°C/2mmHg(lit.)
Density: 0.811 · 0.811±0.06 g/cm3(Predicted)
refractive index: 1.443 to · 1.4430 to 1.4470
pka: 11.13 · 11.13±0.35(Predicted)
form: clear liquid
color: Light yellow to Brown
InChIKey: NTPSQPZXFVRULZ-UHFFFAOYSA-N
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 501 · P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
RIDADR: 2735 · UN 2735 8/PG II
HS Code: 2921.19 · 2921.19.6190
HazardClass: 8 · 8
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

ridadr: UN 2735 8/PG II
hs_code: 2921.19.6190
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: 8
packing_group: II
Hazard statements: H314
Precautionary statements: P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405