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Details

Stereochemistry ACHIRAL
Molecular Formula C3H7BrO
Molecular Weight 138.991
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-BROMO-1-PROPANOL

SMILES

OCCCBr

InChI

InChIKey=RQFUZUMFPRMVDX-UHFFFAOYSA-N
InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

HIDE SMILES / InChI

Molecular Formula C3H7BrO
Molecular Weight 138.991
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

3-Bromo-1-propanol is an organic compound used in the synthesis of fluorescent halide-sensitive quinolinium dyes and molten salt-polymers. It was used in the synthesis of chiral, quaternary prolines via cyclization of quaternary amino acids. 3-Bromo-1-propanol was used to label surface-accessible tryptophan residues.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Chloride-sensitive fluorescent indicators.
2001 Jun 1
Development of indole chemistry to label tryptophan residues in protein for determination of tryptophan surface accessibility.
2007 Jun
Analysis of vibrational spectra of 3-halo-1-propanols CH(2)XCH(2)CH(2)OH (X is Cl and Br).
2008 Dec 1
3-(9H-Carbazol-9-yl)propan-1-ol.
2010 Dec 18
Glycoconjugates, products of uridine derivatives phosphitylation and oxidation as glycosyltransferases potential inhibitors.
2010 Nov-Dec
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
Carbonic anhydrase was reacted with 3-bromo-1-propanol (BP) at a concentration of 0.24 mg/mL, which corresponds to 100 μM of tryptophan in 50 mM NH4HCO3. The samples were irradiated until a 50% decrease in fluorescence was achieved. For reactions with 40 mM BP, the samples were in 50 mM NH4CH3CO2 (pH 6.5).
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:58:47 GMT 2023
Edited
by admin
on Fri Dec 15 18:58:47 GMT 2023
Record UNII
3T4AXH68FH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-BROMO-1-PROPANOL
Systematic Name English
BROMO-1-PROPANOL, 3-
Systematic Name English
Code System Code Type Description
FDA UNII
3T4AXH68FH
Created by admin on Fri Dec 15 18:58:47 GMT 2023 , Edited by admin on Fri Dec 15 18:58:47 GMT 2023
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EPA CompTox
DTXSID3024657
Created by admin on Fri Dec 15 18:58:47 GMT 2023 , Edited by admin on Fri Dec 15 18:58:47 GMT 2023
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ECHA (EC/EINECS)
210-986-6
Created by admin on Fri Dec 15 18:58:47 GMT 2023 , Edited by admin on Fri Dec 15 18:58:47 GMT 2023
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PUBCHEM
12308
Created by admin on Fri Dec 15 18:58:47 GMT 2023 , Edited by admin on Fri Dec 15 18:58:47 GMT 2023
PRIMARY
CAS
627-18-9
Created by admin on Fri Dec 15 18:58:47 GMT 2023 , Edited by admin on Fri Dec 15 18:58:47 GMT 2023
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