CS-0120850
(S)-4-((1,4,7,10-Tetrakis(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-2-yl)methyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1713269-98-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₀H₆₆N₄O₁₀
Molecular Weight
762.97
Synonyms
None
SMILES
O=C(OC(C)(C)C)CN1[C@@H](CC2=CC=C(C(O)=O)C=C2)CN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
Tpsa
155.46
Logp
3.8843
H Acceptors
13
H Donors
1
Rotatable Bonds
11
Related Products
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₆₆N₄O₁₀
Molecular Weight: 762.97
Synonyms: None
SMILES: O=C(OC(C)(C)C)CN1[C@@H](CC2=CC=C(C(O)=O)C=C2)CN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
Tpsa: 155.46
Logp: 3.8843
H Acceptors: 13
H Donors: 1
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₆₆N₄O₁₀
Molecular Weight:
762.97
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)CN1[C@@H](CC2=CC=C(C(O)=O)C=C2)CN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
Tpsa:
155.46
Logp:
3.8843
H Acceptors:
13
H Donors:
1
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₉H₆₇N₅O₈
Molecular Weight: 733.98
Synonyms: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aMinophenyl)Methyl]-, tetrakis(1,1-diMethylethyl) ester
SMILES: O=C(OC(C)(C)C)CN1C(CC2=CC=C(N)C=C2)CN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
Tpsa: 144.18
Logp: 3.7683
H Acceptors: 13
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₆₇N₅O₈
Molecular Weight:
733.98
Synonyms:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aMinophenyl)Methyl]-, tetrakis(1,1-diMethylethyl) ester
SMILES:
O=C(OC(C)(C)C)CN1C(CC2=CC=C(N)C=C2)CN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
Tpsa:
144.18
Logp:
3.7683
H Acceptors:
13
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆IN
Molecular Weight: 219.02
Synonyms: None
SMILES: CC1=C(I)C=CN=C1
Tpsa: 12.89
Logp: 1.99462
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆IN
Molecular Weight:
219.02
Synonyms:
None
SMILES:
CC1=C(I)C=CN=C1
Tpsa:
12.89
Logp:
1.99462
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD30833843
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₈O₃
Molecular Weight: 174.24
Synonyms: None
SMILES: O=C(OCC)C[C@H](C)CCCO
Tpsa: 46.53
Logp: 1.3482
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD30833843
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₈O₃
Molecular Weight:
174.24
Synonyms:
None
SMILES:
O=C(OCC)C[C@H](C)CCCO
Tpsa:
46.53
Logp:
1.3482
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6