Piperidine-1-propanol (HCID 66032)

Names & identifiers

Preferred name: Piperidine-1-propanol
IUPAC: 3-piperidin-1-ylpropan-1-ol
English name: 1-Piperidinepropanol
Molecular formula: C8H17NO
Molecular weight: 143.23

Names & synonyms

1-Piperidinepropanol104-58-53-PiperidinopropanolPiperidine-1-propanol1-(3-Hydroxypropyl)piperidine3-(1-Piperidinyl)propanolgamma-Piperidinopropanolgamma-Piperidinopropanol [German]EINECS 203-216-5BRN 0001275DTXSID701462075-20-02-00160 (Beilstein Handbook Reference)

Show more names

AKOS BC-0904BUTTPARK 75\06-09Piperidinepropanol1-Piperidinepropano1-Piperidinopropanol3-PIPERIDINOPROPAN-1-OL

NSC 66531RefChem:863574DTXCID6068698203-216-53-(piperidin-1-yl)propan-1-ol3-piperidin-1-ylpropan-1-olMFCD000237813-Piperidino-1-propanol

Database identifiers

CAS: 104-58-5
PubChem CID: 66032
DTXSID: DTXSID70146207
UNII: FHL88SZ8XT
EC Number: 203-216-5
Nikkaji: J182.181D

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 79.3

Physicochemical properties

Boiling point: 94 · 94-95 °C/0.5 mmHg (lit.)
Density: 0.944 g/mL · 0.944 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4775(lit.)
Flash point: 208 °F · 208 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 15.12 · 15.12±0.10(Predicted)
form: liquid
color: Colourless to light yellow
InChI: InChI=1S/C8H17NO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-8H2
InChIKey: PLRXAFVBCHEMGD-UHFFFAOYSA-N
SMILES: N1(CCCO)CCCCC1
CAS DataBase Reference: 104 · 104-58-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 1 · 1-Piperidinepropanol(104-58-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 2414500 · TN2414500
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (12%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (12%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: TN2414500
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesReactant in: Mitsunobu reaction of intramolecular nitrile oxide-alkene cycloadditions1 Suzuki-coupling2Reactant for synthesis of: Histamine H3 receptor antagonists3 Protein lysine methyltransferase G9a inhibitors4 Serotonin-4 receptors antagonists5 Checkpoint kinase Chk2 inhibitors6

Uses1-Piperidinepropanol is used in preparation of Ionizable Amine lipids for lipid Nanoparticle compounds that deliver Nucleic Acids.