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DL- Alanine ethyl ester hydrochloride

CAT: 0286-A12290-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-A12290-01Size:5 g
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CAS Number
617-27-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00013018
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.
DOT Name
Not D.O.T.-Regulated
Precautions
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

Alanine, ethyl ester, hydrochloride (1:1)
CAS Number617-27-6
PubChem CID102560
IUPAC Nameethyl 2-aminopropanoate;hydrochloride
Molecular FormulaC5H12ClNO2
Molecular Weight153.61
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity82
SMILES
CCOC(=O)C(C)N.Cl
InChI
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H
InChIKey
JCXLZWMDXJFOOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alanine, ethyl ester, hydrochloride (1:1)
CAS: 617-27-6
CID: 102560
Formula: C5H12ClNO2
MW: 153.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.61
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass153.0556563
Monoisotopic Mass153.0556563
Topological Polar Surface Area52.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity82.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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