1-Butanol p.A.

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CAS Number

71-36-3

UN Code

UN1120

Chemical Information

1-Butanol

Butan-1-ol is a primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. It has a role as a protic solvent, a mouse metabolite and a human metabolite. It is a primary alcohol, a short-chain primary fatty alcohol and an alkyl alcohol.

CAS Number	71-36-3
PubChem CID	263
IUPAC Name	butan-1-ol
Molecular Formula	C4H10O
Molecular Weight	74.12
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

CCCCO

InChI

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

InChIKey

LRHPLDYGYMQRHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71-36-3

CID: 263

Formula: C4H10O

MW: 74.12

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	74.12
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	74.073164938
Monoisotopic Mass	74.073164938
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	13.1
Isotope Atom Count	0
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

Related Products

Catalog	Name
LC-5926.2	Tert-Butanol p.A.
LC-5926.1	Tert-Butanol p.A.
LC-7082.1	2-Butanol p.A.
LC-7226.2	1-Butanol pure
LC-7226.1	1-Butanol pure
LC-7058.1	1-Propanol p.A.
LC-7058.3	1-Propanol p.A.
LC-7058.2	1-Propanol p.A.
LC-10836.2	Toluene/1-Propanol (1:3) p.A.
LC-10836.1	Toluene/1-Propanol (1:3) p.A.

Alternative Products

Catalog	Name
465153-01	S- (+) -2-Methyl-1-butanol p-Toluenesulfonate
S-5951	1000ug/mL 33-Dimethyl-1-butanol in MeOH P+T - 1ML
sc-365785 P	P-NFATc3 (A-1) P
sc-271929 P	P-Raf-1 (E-1) P
sc-377555 P	P-Fyn (D-1) P
sc-271924 P	P-LKB1 (C-1) P
SBA09205-01	P, P'-[ (1,2-Phenylene) bis (methylene) ]bisphosphonic acid P, P, P', P'-tetraethyl ester
sc-271923 P	P-Cofilin 1 (H-2) P
sc-166967 P	P-ASK 1 (B-5) P
sc-8406 P	P-Elk-1 (B-4) P

1-Butanol p.A.

Chemical Information

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