CS-0874365
Tri-tert-Butyl 2,2',2''-(10-(prop-2-yn-1-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
Manufacturer: ChemScene
CAS Number: 1189194-64-6
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₉H₅₂N₄O₆
Molecular Weight
552.75
Synonyms
None
SMILES
O=C(OC(C)(C)C)CN1CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC#C)CC1
Tpsa
91.86
Logp
1.8663
H Acceptors
10
H Donors
0
Rotatable Bonds
7
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₅₂N₄O₆
Molecular Weight: 552.75
Synonyms: None
SMILES: O=C(OC(C)(C)C)CN1CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC#C)CC1
Tpsa: 91.86
Logp: 1.8663
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₅₂N₄O₆
Molecular Weight:
552.75
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)CN1CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC#C)CC1
Tpsa:
91.86
Logp:
1.8663
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₃N₃O₂
Molecular Weight: 313.39
Synonyms: None
SMILES: CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)N=C1NC3CCCC3
Tpsa: 64.11
Logp: 3.77784
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₃N₃O₂
Molecular Weight:
313.39
Synonyms:
None
SMILES:
CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)N=C1NC3CCCC3
Tpsa:
64.11
Logp:
3.77784
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₂₀NO₅P
Molecular Weight: 229.21
Synonyms: None
SMILES: C[N+](C)(C)CCO.COP(=O)([O-])OC
Tpsa: 78.82
Logp: -0.5675
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₂₀NO₅P
Molecular Weight:
229.21
Synonyms:
None
SMILES:
C[N+](C)(C)CCO.COP(=O)([O-])OC
Tpsa:
78.82
Logp:
-0.5675
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂O₄
Molecular Weight: 232.23
Synonyms: None
SMILES: CCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C
Tpsa: 56.51
Logp: 2.41682
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂O₄
Molecular Weight:
232.23
Synonyms:
None
SMILES:
CCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C
Tpsa:
56.51
Logp:
2.41682
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2