N-Methyl-N-pentyl-beta-alanine hydrochloride (1:1)

Basic Information

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CAS Number

625120-81-2

Molecular Formula

C9H20ClNO2

Molecular Weight

209.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

90-96°C

SMILES

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CCCCCN(C)CCC(=O)O.Cl

InChI

InChI=1S/C9H19NO2.ClH/c1-3-4-5-7-10(2)8-6-9(11)12;/h3-8H2,1-2H3,(H,11,12);1H

InChIKey

YDWXRULMHQZBEX-UHFFFAOYSA-N

LogP

2.0048999999999997

Topological Polar Surface Area

40.540000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

126

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-(N-Methylpentylamino)propionicacidhydrochloride
.BETA.-ALANINE, N-METHYL-N-PENTYL-, HYDROCHLORIDE (1:1)
EN300-6481907
YDWXRULMHQZBEX-UHFFFAOYSA-N
3-(N-Methylpentylamino) Propionic Acid HCl
625120-81-2
beta-Alanine, N-methyl-N-pentyl-, hydrochloride (1:1)
3-[methyl(pentyl)amino]propanoic acid;hydrochloride
UNII-E7FT72BUU1
3-(methyl(pentyl)amino)propanoic acid hydrochloride
FT-0672086
b-Alanine, N-methyl-N-pentyl-, hydrochloride
N-Methyl-N-pentyl-beta-alanine--hydrogen chloride (1/1)
DTXSID20587383
AS-15812
Ibanic Acid Hydrochloride
Ibanic acid hydrochloride; 3-(N-Methyl-N-pentylamino)propionic Acid hydrochloride; beta-Alanine, N-methyl-N-pentyl-, hydrochloride (1:1); beta-Alanine, N-methyl-N-pentyl-, hydrochloride (9CI); N-Methyl-N-pentyl-beta-alanine hydrochloride; Ibandronate Related Compound A as Hydrochloride
n-methyl-n-pentyl-beta-alaninehydrochloride
Ibandronate Intermediate
BCP13803
3-[methyl(pentyl)amino]propanoic acid hydrochloride
3-(N-Methylpentylamino)propionic acid, HCl
SY104810
FT-0648280
A8641
3-(N-Methyl-N-pentylamino)propionic Acid Hydrochloride
D81790
N-methyl-N-pentyl-beta-alanine hydrochloride
SCHEMBL369126
3-(Methyl(pentyl)amino)propanoic acid HCl
MFCD08275216

MDL Number

MFCD08275216

Customs Code

2922499990

FAQ

What is N-Methyl-N-pentyl-beta-alanine hydrochloride (CAS: 625120-81-2)?

N-Methyl-N-pentyl-beta-alanine hydrochloride (CAS: 625120-81-2) is a chemical compound formed by the hydrochloride salt of N-Methyl-N-pentyl-beta-alanine. It has the molecular formula C9H17NO2·HCl and is a white crystalline solid with good water solubility. This compound is commonly used in pharmaceutical and research applications due to its structural properties and stability.

What are the main uses of N-Methyl-N-pentyl-beta-alanine hydrochloride (CAS: 625120-81-2)?

N-Methyl-N-pentyl-beta-alanine hydrochloride (CAS: 625120-81-2) is primarily utilized in pharmaceutical research as a building block for drug development, particularly in the synthesis of amino acid-based compounds. It also finds applications in industrial chemistry as a precursor for various derivatives and in the formulation of nutritional supplements. Its unique chemical structure makes it valuable for studying amino acid metabolism and functional chemistry.

Is N-Methyl-N-pentyl-beta-alanine hydrochloride (CAS: 625120-81-2) safe?

N-Methyl-N-pentyl-beta-alanine hydrochloride (CAS: 625120-81-2) is generally considered safe when handled properly, but it may cause mild irritation to skin or eyes. Safety standards recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. While toxicity data is limited, standard chemical safety protocols and OSHA guidelines should be followed to ensure safe handling and exposure limits.

How should N-Methyl-N-pentyl-beta-alanine hydrochloride (CAS: 625120-81-2) be stored?

N-Methyl-N-pentyl-beta-alanine hydrochloride (CAS: 625120-81-2) should be stored in a cool, dry place, away from light and moisture. Keep it in a sealed, airtight container to maintain stability and prevent degradation. Storage conditions should ensure temperatures below 25°C and humidity levels below 60% to preserve its chemical integrity and prolong shelf life.