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60022-62-0 molecular structure
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benzyl (2S)-2-amino-3-hydroxypropanoate hydrochloride

ChemBase ID: 69391
Molecular Formular: C10H14ClNO3
Molecular Mass: 231.67606
Monoisotopic Mass: 231.06622099
SMILES and InChIs

SMILES:
C(=O)([C@H](CO)N)OCc1ccccc1.Cl
Canonical SMILES:
OC[C@@H](C(=O)OCc1ccccc1)N.Cl
InChI:
InChI=1S/C10H13NO3.ClH/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;/h1-5,9,12H,6-7,11H2;1H/t9-;/m0./s1
InChIKey:
MGZWCDQAKCHOBX-FVGYRXGTSA-N

Cite this record

CBID:69391 http://www.chembase.cn/molecule-69391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl (2S)-2-amino-3-hydroxypropanoate hydrochloride
IUPAC Traditional name
benzyl (2S)-2-amino-3-hydroxypropanoate hydrochloride
Synonyms
H-Ser.OBzl.HCl
L-SERINE BENZYL ESTER
L-Serine benzyl ester hydrochloride
L-Serine benzyl ester hydrochloride
H-Ser-OBzl.HCl
L-丝氨酸苄酯盐酸盐
CAS Number
60022-62-0
MDL Number
MFCD00038955
PubChem SID
162035117
24899663
PubChem CID
12930233

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.880773  H Acceptors
H Donor LogD (pH = 5.5) -1.0837392 
LogD (pH = 7.4) 0.14421314  Log P 0.2447459 
Molar Refractivity 51.4227 cm3 Polarizability 20.607536 Å3
Polar Surface Area 72.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 175°C dec. expand Show data source
Optical Rotation
-12 (c=4 in water) expand Show data source
Storage Condition
0°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02152054 external link
Hydrochloride

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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