CS-1036682
3-Hydroxy-3-(4-isopropylcyclohexyl)propanenitrile
Manufacturer: ChemScene
CAS Number: 1863657-92-4
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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
C₁₂H₂₁NO
Molecular Weight
195.30
Synonyms
None
SMILES
N#CCC(O)C1CCC(CC1)C(C)C
Tpsa
44.02
Logp
2.72338
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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: C₁₂H₂₁NO
Molecular Weight: 195.30
Synonyms: None
SMILES: N#CCC(O)C1CCC(CC1)C(C)C
Tpsa: 44.02
Logp: 2.72338
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₁NO
Molecular Weight:
195.30
Synonyms:
None
SMILES:
N#CCC(O)C1CCC(CC1)C(C)C
Tpsa:
44.02
Logp:
2.72338
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇NS
Molecular Weight: 207.34
Synonyms: None
SMILES: SC1CCN(CC=2C=CC=CC2)C1C
Tpsa: 3.24
Logp: 2.5792
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇NS
Molecular Weight:
207.34
Synonyms:
None
SMILES:
SC1CCN(CC=2C=CC=CC2)C1C
Tpsa:
3.24
Logp:
2.5792
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂BrNOS
Molecular Weight: 262.17
Synonyms: None
SMILES: BrC=1SC(=CC1)C(O)C2(CN)CC2
Tpsa: 46.25
Logp: 2.2829
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂BrNOS
Molecular Weight:
262.17
Synonyms:
None
SMILES:
BrC=1SC(=CC1)C(O)C2(CN)CC2
Tpsa:
46.25
Logp:
2.2829
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆N₂O₄
Molecular Weight: 182.13
Synonyms: None
SMILES: O=C(O)C1=COC(=NOCC#C)N1
Tpsa: 87.82
Logp: -0.2286
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆N₂O₄
Molecular Weight:
182.13
Synonyms:
None
SMILES:
O=C(O)C1=COC(=NOCC#C)N1
Tpsa:
87.82
Logp:
-0.2286
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3