CS-1000459
1H-Azepine, 3-ethylhexahydro-1-methyl-3-phenyl-, hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 112269-41-7
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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
C₁₅H₂₄ClN
Molecular Weight
253.81
Synonyms
None
SMILES
Cl.C=1C=CC(=CC1)C2(CN(C)CCCC2)CC
Tpsa
3.24
Logp
3.8719
H Acceptors
1
H Donors
0
Rotatable Bonds
2
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: C₁₅H₂₄ClN
Molecular Weight: 253.81
Synonyms: None
SMILES: Cl.C=1C=CC(=CC1)C2(CN(C)CCCC2)CC
Tpsa: 3.24
Logp: 3.8719
H Acceptors: 1
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:
C₁₅H₂₄ClN
Molecular Weight:
253.81
Synonyms:
None
SMILES:
Cl.C=1C=CC(=CC1)C2(CN(C)CCCC2)CC
Tpsa:
3.24
Logp:
3.8719
H Acceptors:
1
H Donors:
0
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: C₃₂H₅₉ClN₂O₆S
Molecular Weight: 635.34
Synonyms: None
SMILES: [C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OC(CCCCCCCCCCCCC)=O)[C@@H](O)[C@H]2O)[H]
Tpsa: 108.33
Logp: 5.6415
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 20
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₅₉ClN₂O₆S
Molecular Weight:
635.34
Synonyms:
None
SMILES:
[C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OC(CCCCCCCCCCCCC)=O)[C@@H](O)[C@H]2O)[H]
Tpsa:
108.33
Logp:
5.6415
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
20
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₅H₆₅ClN₂O₆S
Molecular Weight: 677.42
Synonyms: None
SMILES: [C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OC(CCCCCCCCCCCCCCCC)=O)[C@@H](O)[C@H]2O)[H]
Tpsa: 108.33
Logp: 6.8118
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 23
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₆₅ClN₂O₆S
Molecular Weight:
677.42
Synonyms:
None
SMILES:
[C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OC(CCCCCCCCCCCCCCCC)=O)[C@@H](O)[C@H]2O)[H]
Tpsa:
108.33
Logp:
6.8118
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
23
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₅NO₃
Molecular Weight: 339.43
Synonyms: None
SMILES: O=C(OC1=CC=C(C=C1)C(=O)CN(CC=2C=CC=CC2)C(C)(C)C)C
Tpsa: 46.61
Logp: 4.0953
H Acceptors: 4
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:
C₂₁H₂₅NO₃
Molecular Weight:
339.43
Synonyms:
None
SMILES:
O=C(OC1=CC=C(C=C1)C(=O)CN(CC=2C=CC=CC2)C(C)(C)C)C
Tpsa:
46.61
Logp:
4.0953
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
6