1-Butanol-d

CAT: 0572-TRC-B689973-250MGSize: 250 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-B689973-250MGSize:250 mg

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CAS Number

4712-38-3

Synonyms

1-Butanol-d (9CI); Butyl alcohol-d (6CI, 7CI, 8CI); 1-Deuteriooxybutane; Butanol-O-d; n-Butanol-O-d; 1-Butanol-O-D; n-Butyl alcohol-OD

Hazard Statement

No Data Available; UN number: UN1120; Packing Group: III

Smiles

[2H]OCCCC

Molecular Formula

C4 D H9 O

Molecular Weight

75.128

InChI

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i5D

Additionnal Information

IUPAC name: 1-deuteriooxybutane

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

butan-1-(2H)ol

CAS Number	4712-38-3
PubChem CID	20836
IUPAC Name	1-deuteriooxybutane
Molecular Formula	C4H10O
Molecular Weight	75.13
XLogP	0.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	5
Formal Charge	0
Complexity	13

SMILES

[2H]OCCCC

InChI

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i5D

InChIKey

LRHPLDYGYMQRHN-UICOGKGYSA-N

Chemical Structure

2D Structure

CAS: 4712-38-3

CID: 20836

Formula: C4H10O

MW: 75.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	75.13
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	75.079441684
Monoisotopic Mass	75.079441684
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	13.1
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-B690045-50ML	1-Butanol
P296030	1-Phenyl-1-butanol
TRC-P309000-50G	4-Phenyl-1-butanol
TRC-P309000-10G	4-Phenyl-1-butanol
TRC-A602120-5G	4-Amino-1-butanol
TRC-P309010-1G	3-Phenyl-1-butanol
TRC-P309000-25G	4-Phenyl-1-butanol
TRC-F588810-5G	4-Fluoro-1-butanol
TRC-P309010-250MG	3-Phenyl-1-butanol
TRC-D461820-750MG	1,1-Dimethoxy-2-butanol

Alternative Products

Catalog	Name
158416	1-Butanol-d
40170022-2	1-Butanol
LC-7226.2	1-Butanol pure
LC-7224.2	1-Butanol p.A.
sc-224583	1-Butanol-d10
006550-01	S (+) -2-Amino-1-Butanol (D-2-Aminobutanol)
OR924460-01	1-Phenyl-1-butanol
sc-273296	1-Cyclohexyl-1-butanol
MBS393326-01	Butanol

1-Butanol-d

Chemical Information

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