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5-{1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1,3-benzenediol sulfate (2:1) | CAS No. 23031-32-5

5-{1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1,3-benzenediol sulfate (2:1)

Basic Information

Chemical_Structure_Of

CAS Number

23031-32-5

Molecular Formula

C24H40N2O10S

Molecular Weight

548.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

246-248°C

Boiling Point

419.2°C at 760 mmHg

Flash Point

Not available

Solubility

H2O: soluble100mg/mL, clear to slightly hazy, colorless to yellow

Refractive Index

1.6900 (estimate)

Vapor Pressure

Not available

SMILES

CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O

InChI

InChI=1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)

InChIKey

KFVSLSTULZVNPG-UHFFFAOYSA-N

LogP

2.3858

pKa

pKa1 8.8, pKa2 10.1, pKa3 11.2(at 25℃)

Topological Polar Surface Area

220.03999999999996 Å²

Hydrogen Bond Donor/Acceptor

10 / 12

Complexity

286

Safety Information

View Safety Information

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

BCP09034
(+/-)-.ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,5-DIHYDROXYBENZYL ALCOHOL SULFATE (2:1) (SALT)
TERBUTALINE SULFATE (EP IMPURITY)
1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, Sulfate(2:1)(salt)
TERBUTALINE HEMISULFATE
Terbutaline sulfate (USAN:USP:JAN)
TERBUTALINE SULFATE [WHO-DD]
HMS2096O03
NCGC00016772-01
SR-01000872654-1
Terbutaline sulfate, British Pharmacopoeia (BP) Reference Standard
Terbutaline sulphate
TERBUTALINE SULFATE [VANDF]
5-(2-(tert-butylamino)-1-hydroxyethyl)benzene-1,3-diol hemisulfate
MFCD00079584
Tox21_110602
EX-A4292
CAS-23031-32-5
Terbutaline sulfate (JP17/USP)
DTXCID1025437
Terbutaline sulfate
BENZYL ALCOHOL, alpha-((tert-BUTYLAMINO)METHYL)-3,5-DIHYDROXY-, SULFATE (2:1)
TERBUTALINE SULFATE [USP MONOGRAPH]
Brethine (TN)
NSC-757336
CHEBI:9450
CCG-220391
TERBUTALINE SULFATE [MI]
TERBUTALINE SULFATE (USP-RS)
5-((1RS)-2-(1,1-Dimethylethylamino)-1-hydroxyethyl)benzene-1,3-diol hemisulfate
NS00076273

MDL Number

MFCD00079584

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

HuBeiMoDe Chemical Co Ltd

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