CS-0551561
4-(1,4-Diazepane-1-carbonyl)benzonitrile hydrochloride
Manufacturer: ChemScene
CAS Number: 1568970-44-4
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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
C₁₃H₁₆ClN₃O
Molecular Weight
265.74
Synonyms
None
SMILES
Cl.N#CC1=CC=C(C=C1)C(=O)N2CCNCCC2
Tpsa
56.13
Logp
1.41558
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₁₃H₁₆ClN₃O
Molecular Weight: 265.74
Synonyms: None
SMILES: Cl.N#CC1=CC=C(C=C1)C(=O)N2CCNCCC2
Tpsa: 56.13
Logp: 1.41558
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₆ClN₃O
Molecular Weight:
265.74
Synonyms:
None
SMILES:
Cl.N#CC1=CC=C(C=C1)C(=O)N2CCNCCC2
Tpsa:
56.13
Logp:
1.41558
H Acceptors:
3
H Donors:
1
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: C₈H₁₄N₂O₃
Molecular Weight: 186.21
Synonyms: None
SMILES: C1COCCN1C(=O)N2CC(C2)O
Tpsa: 53.01
Logp: -0.8849
H Acceptors: 3
H Donors: 1
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:
C₈H₁₄N₂O₃
Molecular Weight:
186.21
Synonyms:
None
SMILES:
C1COCCN1C(=O)N2CC(C2)O
Tpsa:
53.01
Logp:
-0.8849
H Acceptors:
3
H Donors:
1
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: C₁₄H₁₇F₃OS
Molecular Weight: 290.34
Synonyms: 3'-(n-Hexylthio)-2,2,2-trifluoroacetophenone
SMILES: CCCCCCSC1=CC=CC(=C1)C(=O)C(F)(F)F
Tpsa: 17.07
Logp: 5.104
H Acceptors: 2
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:
C₁₄H₁₇F₃OS
Molecular Weight:
290.34
Synonyms:
3'-(n-Hexylthio)-2,2,2-trifluoroacetophenone
SMILES:
CCCCCCSC1=CC=CC(=C1)C(=O)C(F)(F)F
Tpsa:
17.07
Logp:
5.104
H Acceptors:
2
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: C₁₃H₁₅F₃OS
Molecular Weight: 276.32
Synonyms: 2,2,2-trifluoro-1-(4-pentylsulfanylphenyl)ethanone
SMILES: CCCCCSC1=CC=C(C=C1)C(=O)C(F)(F)F
Tpsa: 17.07
Logp: 4.7139
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₅F₃OS
Molecular Weight:
276.32
Synonyms:
2,2,2-trifluoro-1-(4-pentylsulfanylphenyl)ethanone
SMILES:
CCCCCSC1=CC=C(C=C1)C(=O)C(F)(F)F
Tpsa:
17.07
Logp:
4.7139
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6