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Acetyl-DL-proline

CAT: 0286-A09900-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-A09900-02Size:5 g
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CAS Number
1074-79-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00063230
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

DL-Acetylproline

N-Acetyl-proline is a N-acyl-amino acid.

CAS Number1074-79-9
PubChem CID322640
IUPAC Name1-acetylpyrrolidine-2-carboxylic acid
Molecular FormulaC7H11NO3
Molecular Weight157.17
XLogP-0.7
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity190
SMILES
CC(=O)N1CCCC1C(=O)O
InChI
InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKey
GNMSLDIYJOSUSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DL-Acetylproline
CAS: 1074-79-9
CID: 322640
Formula: C7H11NO3
MW: 157.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.17
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass157.07389321
Monoisotopic Mass157.07389321
Topological Polar Surface Area57.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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