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Tris(2-methyl-2-propanyl) 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate | CAS No. 122555-91-3

Tris(2-methyl-2-propanyl) 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Basic Information

Chemical_Structure_Of

CAS Number

122555-91-3

Molecular Formula

C26H50N4O6

Molecular Weight

514.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

181-183 ºC

Boiling Point

561.6°C at 760 mmHg

Flash Point

293.4°C

Refractive Index

1.467

SMILES

CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C26H50N4O6/c1-24(2,3)34-21(31)18-28-12-10-27-11-13-29(19-22(32)35-25(4,5)6)15-17-30(16-14-28)20-23(33)36-26(7,8)9/h27H,10-20H2,1-9H3

InChIKey

NMHVTLJFPDOJOD-UHFFFAOYSA-N

LogP

1.5207000000000066

Topological Polar Surface Area

100.65000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

665

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Tri-tert-butyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
CS-3898
J-004825
1,4,7-tris(t-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester
DO3A-t-Bu-ester
tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
T2541
1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraaza-cyclododecane
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, tris(1,1-dimethylethyl) ester
1,4,7,10-Tetraazacyclododecane-4,7,10-triacetic acid tri-t-butyl ester
AMY5221
122555-91-3
HY-12692
tert-butyl 2-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetate
DO3A tert-Butyl ester
FT-0744473
DO3Atert-Butylester
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, >=97.0% (CHN)
NMHVTLJFPDOJOD-UHFFFAOYSA-N
AC-31773
SY053392
DO3A tert-butyl
tert-Butyl 2-[4,7-bis(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
C71848
1,4,7-TRIS(TERT-BUTOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
AS-20112
DTXSID40459679
DO3A tert-butyl;DO3A-t-Bu-ester
AKOS015854032
CMX8GL4N3Y

MDL Number

MFCD05865261

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

Hubei Rieno Pharmaceutical Technology Co., Ltd.

CAS Number: 122555-91-3

Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.

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