UCSF

ZINC00395671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Other Names:

"Ethyl (R)-2-hydroxy-4-phenylbutyrate, 98%"

(R)-2-hydroxy-4-phenylbutyric acid ethyl ester

(R)-ethyl 2-hydroxy-4-phenylbutanoate

(S)-2-Hydroxy-4-phenylbutyricAcidEthylEster

.gamma.-Phenylbutyric acid

.omega.-Phenylbutanoic acid

1-Phenylbutyric acid

1716-12-7 (hydrochloride)

1821-12-1

2-methyl-1-phenyl-propan-2-amine

2ay7

4-PHENYL-BUTANOIC ACID

4-Phenylbutanoic acid

4-phenylbutans

4-phenylbutyrate

4-PHENYLBUTYRIC ACID

4346-18-3

AB1001924

AC-3254

AC1L1IXE

AC1L2G3A

AC1Q5W0X

AC1Q75DT

AC1Q75DU

AI3-11761

AI3-12065

AKOS000154540

AKOS002952627

AR-1G4411

Benzenebutanoic acid

Benzenebutyric acid

bmse000701

BRD-K67102207-001-02-6

BRD-K67102207-236-01-0

BSPBio_002484

Butanoic acid, phenyl ester

Butyric acid, 4-phenyl-

Butyric acid, 4-phenyl- (8CI)

Butyric acid, phenyl ester

CHEBI:41500

CHEMBL1469

CID20354

CID4775

CPD000059104

DB02000

DCL000929

DivK1c_006910

EINECS 217-341-8

EINECS 224-405-9

Ethyl (R)-(-)-2-hydroxy-4-phenylbutyrate

Ethyl (R)-2-hydroxy-4-phenylbutyrate, 98%

ETHYL (S)-2-HYDROXY-4-PHENYLBUTYRATE

Ethyl(R)-(-)-2-hydroxy-4-phenylbutyrate

ethyl2-hydroxy-4-phenylbutanoate

FR-2080

FT-0082934

GAMMA-PHENYL-BUTYRIC ACID

gamma-Phenylbutyric acid

HDInhib_000004

I01-3326

InChI=1/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)

KBio1_001854

KBio2_001811

KBio2_004379

KBio2_006947

KBio3_001704

KBioGR_000384

KBioSS_001811

LS-173716

LS-46421

MFCD00077794

MLS000069408

MLS001076482

MolPort-000-871-587

N/A

NA

NCGC00018113-01

NCI60_002455

NCI60_020145

NSC 295

NSC295

OBKXEAXTFZPCHS-UHFFFAOYSA-

omega-Phenylbutanoic acid

OR-0893

P0643

P21005_ALDRICH

phenyl butanoate

phenyl butyrate

Phenylbutyrate

R-2-Hydroxy-4-phenyl butyric acid ethyl ester

SAM002264634

SBB008452

SMR000059104

SPBio_001755

SpecPlus_000814

Spectrum2_001798

Spectrum3_000782

Spectrum4_000092

Spectrum5_001003

Spectrum_001331

TL8001458

ZINC02037928

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 0.46 -6.26 1 3 0 46 208.257 6

Vendor Notes

Note Type Comments Provided By
BP 120 / 1 TCI
BP [°C] 212 Acros Organics
Boiling_Point 212? Alfa-Aesar
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )