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1-Piperidinepropanol

1-Piperidinepropanol structure

CAS No:
104-58-5
Formula:
C8H17NO
Chemical Name:
1-Piperidinepropanol
Synonyms:
1-Piperidinepropanol;3-Piperidino-1-propanol;3-Piperidinopropanol;3-(1-Piperidinyl)propanol;1-(3-Hydroxypropyl)piperidine;3-(Piperidin-1-yl)propan-1-ol;NSC 66531;N-(3-Hydroxypropyl)piperidine;3-(1-Piperidyl)propan-1-ol
Categories:
Pharmaceutical Intermediates > Sleep Disorder Agents

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1-Piperidinepropanol Basic Attributes

Molecular Weight：

143.23

Exact Mass：

143.23

EC Number：

203-216-5

NSC Number：

66531

DSSTox ID：

DTXSID70146207

HScode：

2933399090

Characteristics

PSA：

23.5

XLogP3：

0.8

Density：

0.9585 g/cm³ @ Temp: 29 °C

Boiling Point：

225-228 °C @ Press: 750 Torr

Flash Point：

208 °F

Refractive Index：

n 20/D 1.4775(lit.)

Vapor Pressure：

0.00777mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

RTECS Number：

TN2414500

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H302+H312+H332 (12.77%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Piperidinepropanol Use and Manufacturing

Reactant 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

Computed Properties

Molecular Weight:143.23
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:143.131014166
Monoisotopic Mass:143.131014166
Topological Polar Surface Area:23.5
Heavy Atom Count:10
Complexity:79.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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