CS-0914565
1,3-bis(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol- 3-ium chloride
Manufacturer: ChemScene
CAS Number: 2043362-88-3
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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
C₇H₁₇ClN₂O₁₄P₄
Molecular Weight
512.56
Synonyms
None
SMILES
[Cl-].O=P(O)(O)C(O)(CN1C=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O
Tpsa
279.39
Logp
-6.2174
H Acceptors
7
H Donors
10
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: C₇H₁₇ClN₂O₁₄P₄
Molecular Weight: 512.56
Synonyms: None
SMILES: [Cl-].O=P(O)(O)C(O)(CN1C=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O
Tpsa: 279.39
Logp: -6.2174
H Acceptors: 7
H Donors: 10
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:
C₇H₁₇ClN₂O₁₄P₄
Molecular Weight:
512.56
Synonyms:
None
SMILES:
[Cl-].O=P(O)(O)C(O)(CN1C=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O
Tpsa:
279.39
Logp:
-6.2174
H Acceptors:
7
H Donors:
10
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: C₇H₉ClN₂O₄
Molecular Weight: 220.61
Synonyms: None
SMILES: [Cl-].O=C(O)CN1C=C[N+](=C1)CC(=O)O
Tpsa: 83.41
Logp: -4.0512
H Acceptors: 3
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:
C₇H₉ClN₂O₄
Molecular Weight:
220.61
Synonyms:
None
SMILES:
[Cl-].O=C(O)CN1C=C[N+](=C1)CC(=O)O
Tpsa:
83.41
Logp:
-4.0512
H Acceptors:
3
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: C₁₇H₁₈FN₃O₄
Molecular Weight: 347.34
Synonyms: None
SMILES: O=C1C=2C3=C(C(=C(F)C2)N4CCNCC4)OC[C@@H](C)N3C=C1C(O)=O
Tpsa: 83.8
Logp: 1.2018
H Acceptors: 6
H Donors: 2
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:
C₁₇H₁₈FN₃O₄
Molecular Weight:
347.34
Synonyms:
None
SMILES:
O=C1C=2C3=C(C(=C(F)C2)N4CCNCC4)OC[C@@H](C)N3C=C1C(O)=O
Tpsa:
83.8
Logp:
1.2018
H Acceptors:
6
H Donors:
2
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: C₁₄H₁₁F₂NO₄
Molecular Weight: 295.24
Synonyms: None
SMILES: O=C1C=2C=3N(C=C1C(OC)=O)[C@@H](C)COC3C(F)=C(F)C2
Tpsa: 57.53
Logp: 2.0197
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁F₂NO₄
Molecular Weight:
295.24
Synonyms:
None
SMILES:
O=C1C=2C=3N(C=C1C(OC)=O)[C@@H](C)COC3C(F)=C(F)C2
Tpsa:
57.53
Logp:
2.0197
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1