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(S)-3-Quinuclidinol

(S)-3-Quinuclidinol structure

CAS No:
34583-34-1
Formula:
C7H13NO
Chemical Name:
(S)-3-Quinuclidinol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Off-white crystalline powder

(S)-3-Quinuclidinol Basic Attributes

Molecular Weight：

127.184

Exact Mass：

127.099716

UNII：

2XEB6A770I

HScode：

2933990090

Characteristics

PSA：

23.47000

XLogP3：

-0.07

Density：

1.1±0.1 g/cm3

Melting Point：

215-217 °C

Boiling Point：

206.9±23.0 °C at 760 mmHg

Flash Point：

97.7±21.3 °C

Refractive Index：

1.549

Safety Information

safety instructions：

24/25

Precautionary statement(s)：

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, P363, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Danger|H302+H312+H332 (25%): 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, P363, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:127.18
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:127.099714038
Monoisotopic Mass:127.099714038
Topological Polar Surface Area:23.5
Heavy Atom Count:9
Complexity:108
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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