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N-Acetyl-b-alanine 99%

CAT: 0286-A05895-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
3025-95-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00037296
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

N-Acetyl-beta-alanine

N-acetyl-beta-alanine is the N-acetyl derivative of beta-alanine. It is a N-acetyl-amino acid and a beta-alanine derivative. It is a conjugate acid of a N-acetyl-beta-alaninate.

CAS Number3025-95-4
PubChem CID76406
IUPAC Name3-acetamidopropanoic acid
Molecular FormulaC5H9NO3
Molecular Weight131.13
XLogP-1
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity121
SMILES
CC(=O)NCCC(=O)O
InChI
InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKey
LJLLAWRMBZNPMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-beta-alanine
CAS: 3025-95-4
CID: 76406
Formula: C5H9NO3
MW: 131.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.13
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass131.058243149
Monoisotopic Mass131.058243149
Topological Polar Surface Area66.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A0202-07N-Acetyl-b-alanine
FA47160-01Acetyl-b-alanine
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