CS-0914323
1,8-bis(4-((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl) benzyl)-1,4,8,11-tetraazacyclotetradecane dodecahydrochloride
Manufacturer: ChemScene
CAS Number: 2173049-85-7
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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
C₄₆H₈₅ClN₁₂
Molecular Weight
841.70
Synonyms
None
SMILES
Cl.C=1C=C(C=CC1CN2CCNCCCNCCNCCC2)CN3CCNCCCN(CC4=CC=C(C=C4)CN5CCNCCCNCCNCCC5)CCNCCC3
Tpsa
109.2
Logp
2.1148
H Acceptors
12
H Donors
8
Rotatable Bonds
8
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₄₆H₈₅ClN₁₂
Molecular Weight: 841.70
Synonyms: None
SMILES: Cl.C=1C=C(C=CC1CN2CCNCCCNCCNCCC2)CN3CCNCCCN(CC4=CC=C(C=C4)CN5CCNCCCNCCNCCC5)CCNCCC3
Tpsa: 109.2
Logp: 2.1148
H Acceptors: 12
H Donors: 8
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₈₅ClN₁₂
Molecular Weight:
841.70
Synonyms:
None
SMILES:
Cl.C=1C=C(C=CC1CN2CCNCCCNCCNCCC2)CN3CCNCCCN(CC4=CC=C(C=C4)CN5CCNCCCNCCNCCC5)CCNCCC3
Tpsa:
109.2
Logp:
2.1148
H Acceptors:
12
H Donors:
8
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₄₀N₄O₄
Molecular Weight: 400.56
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CCNCCCNCCN(C(=O)OC(C)(C)C)CCC1
Tpsa: 83.14
Logp: 2.4336
H Acceptors: 6
H Donors: 2
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:
C₂₀H₄₀N₄O₄
Molecular Weight:
400.56
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CCNCCCNCCN(C(=O)OC(C)(C)C)CCC1
Tpsa:
83.14
Logp:
2.4336
H Acceptors:
6
H Donors:
2
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: C₂₄H₃₆N₄O₄S₂
Molecular Weight: 508.70
Synonyms: None
SMILES: O=S(=O)(C1=CC=C(C=C1)C)N2CCNCCCN(CCNCCC2)S(=O)(=O)C3=CC=C(C=C3)C
Tpsa: 98.82
Logp: 1.95804
H Acceptors: 6
H Donors: 2
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:
C₂₄H₃₆N₄O₄S₂
Molecular Weight:
508.70
Synonyms:
None
SMILES:
O=S(=O)(C1=CC=C(C=C1)C)N2CCNCCCN(CCNCCC2)S(=O)(=O)C3=CC=C(C=C3)C
Tpsa:
98.82
Logp:
1.95804
H Acceptors:
6
H Donors:
2
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: C₂₄H₃₇ClN₄
Molecular Weight: 417.03
Synonyms: None
SMILES: Cl.C=1C=CC(=CC1)CN2CCNCCCN(CC=3C=CC=CC3)CCNCCC2
Tpsa: 30.54
Logp: 3.3856
H Acceptors: 4
H Donors: 2
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:
C₂₄H₃₇ClN₄
Molecular Weight:
417.03
Synonyms:
None
SMILES:
Cl.C=1C=CC(=CC1)CN2CCNCCCN(CC=3C=CC=CC3)CCNCCC2
Tpsa:
30.54
Logp:
3.3856
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4