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CHEMBRDG-BB 4003804

CHEMBRDG-BB 4003804 structure

CAS No:
99858-80-7
Formula:
C11H15NO
Chemical Name:
CHEMBRDG-BB 4003804
Synonyms:
CHEMBRDG-BB 4003804;(1-PHENYL-3-PYRROLIDINYL)METHANOL;(1-PHENYL-PYRROLIDIN-3-YL)-METHANOL;OTAVA-BB 1084557;3-pyrrolidinemethanol, 1-phenyl-;(1-phenylpyrrolidin-3-yl)methanol(SALTDATA: FREE)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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CHEMBRDG-BB 4003804 Basic Attributes

Molecular Weight：

177.24

Exact Mass：

177.11500

DSSTox ID：

DTXSID60592198

HScode：

2933990090

Characteristics

PSA：

23.47000

XLogP3：

1.57020

Density：

1.09g/cm3

Boiling Point：

310.7ºC at 760 mmHg

Flash Point：

157.9ºC

Refractive Index：

1.561

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-39

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H318

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:177.24
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:177.115364102
Monoisotopic Mass:177.115364102
Topological Polar Surface Area:23.5
Heavy Atom Count:13
Complexity:154
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes