CS-0540658
Benzyl 4-(dimethylamino)azepane-1-carboxylate
Manufacturer: ChemScene
CAS Number: 1007869-67-1
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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
C₁₆H₂₄N₂O₂
Molecular Weight
276.37
Synonyms
1H-Azepine-1-carboxylic acid, 4-(dimethylamino)hexahydro-, phenylmethyl ester
SMILES
O=C(N1CCC(N(C)C)CCC1)OCC2=CC=CC=C2
Tpsa
32.78
Logp
2.7393
H Acceptors
3
H Donors
0
Rotatable Bonds
3
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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: C₁₆H₂₄N₂O₂
Molecular Weight: 276.37
Synonyms: 1H-Azepine-1-carboxylic acid, 4-(dimethylamino)hexahydro-, phenylmethyl ester
SMILES: O=C(N1CCC(N(C)C)CCC1)OCC2=CC=CC=C2
Tpsa: 32.78
Logp: 2.7393
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₄N₂O₂
Molecular Weight:
276.37
Synonyms:
1H-Azepine-1-carboxylic acid, 4-(dimethylamino)hexahydro-, phenylmethyl ester
SMILES:
O=C(N1CCC(N(C)C)CCC1)OCC2=CC=CC=C2
Tpsa:
32.78
Logp:
2.7393
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₉ClN₂O₂
Molecular Weight: 176.60
Synonyms: 1H-Imidazole-1-acetic acid, α-methyl-, monohydrochloride, (R)- (9CI)
SMILES: O=C(O)[C@@H](C)N1C=CN=C1.[H]Cl
Tpsa: 55.12
Logp: 0.9505
H Acceptors: 3
H Donors: 1
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:
C₆H₉ClN₂O₂
Molecular Weight:
176.60
Synonyms:
1H-Imidazole-1-acetic acid, α-methyl-, monohydrochloride, (R)- (9CI)
SMILES:
O=C(O)[C@@H](C)N1C=CN=C1.[H]Cl
Tpsa:
55.12
Logp:
0.9505
H Acceptors:
3
H Donors:
1
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: C₅H₇NO₄
Molecular Weight: 145.11
Synonyms: 5-Oxazolidinecarboxylicacid,3-methyl-2-oxo-,(S)-(9CI)
SMILES: CN1C[C@H](OC1=O)C(=O)O
Tpsa: 66.84
Logp: -0.4784
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:
C₅H₇NO₄
Molecular Weight:
145.11
Synonyms:
5-Oxazolidinecarboxylicacid,3-methyl-2-oxo-,(S)-(9CI)
SMILES:
CN1C[C@H](OC1=O)C(=O)O
Tpsa:
66.84
Logp:
-0.4784
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: C₈H₁₆N₂
Molecular Weight: 140.23
Synonyms: None
SMILES: CN1CCC2CCC(C1)N2
Tpsa: 15.27
Logp: 0.4425
H Acceptors: 2
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:
C₈H₁₆N₂
Molecular Weight:
140.23
Synonyms:
None
SMILES:
CN1CCC2CCC(C1)N2
Tpsa:
15.27
Logp:
0.4425
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0