Pht-Ala-OH

HCID 720644
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Basic information

CAS
4192-28-3
Standard SMILES
C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O
InChIKey
OZWUITKBAWTEAQ-LURJTMIESA-N
Molecular formula
C11H9NO4
Average molar mass
219.19 g/mol
Monoisotopic mass
219.05315777

Names & identifiers

Preferred name
Pht-Ala-OH
IUPAC
(2S)-2-(1,3-dioxoisoindol-2-yl)propanoic acid
English name
Pht-Ala-OH
Molecular formula
C11H9NO4
Molecular weight
219.19

Names & synonyms

PHT-ALA-OHRefChem:863021998-069-34192-28-3(S)-2-(1,3-Dioxoisoindolin-2-yl)propanoic acidPhthaloyl-L-alanineN-phthaloyl-l-alanine(2S)-2-(1,3-dioxoisoindol-2-yl)propanoic acidMFCD00190990(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acidCS-0094070EN300-235768
Show more names
Pht-AlaPht-L-AlaN-Pht-L-AlaPht-L-Ala-OHPhth-L-Ala-OHPHTHALYL-L-ALANINEN-PHTHALYL-L-ALANINEPHT-ALA-OH USP/EP/BP
2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-methyl-1,3-dioxo-, (alphaS)-(s)-N-phthaloylalanineAM20040442Pht-Ala-OH, AldrichCPR(2S)-2-(1,3-dioxoisoindolin-2-yl)propanoic acidSCHEMBL125972CHEMBL2429921(S)-2-phthalimidopropionic acid

Database identifiers

CAS
4192-28-3
PubChem CID
720644
DTXSID
DTXSID80352170
ChEMBL
CHEMBL2429921
EC Number
998-069-3
Nikkaji
J231.823G

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
74.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
139 · 139 - 141°C
Boiling point
407.9 · 407.9±28.0 °C(Predicted)
Density
1.467 · 1.467±0.06 g/cm3(Predicted)
storage temp.
2 · Inert atmosphere,2-8°C
pka
3 · 3+-.0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code
25
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
T
safety_code
45
Hazard statements
H315-H319-H335

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers74 total

北京华美互利生物化工010-56205725 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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