CS-0415927
(2S,6S)-Benzyl 2-(cyanomethyl)-6-methylpiperazine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2759855-87-1
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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
C₁₅H₁₉N₃O₂
Molecular Weight
273.33
Synonyms
None
SMILES
O=C(N1[C@@H](CC#N)CNC[C@@H]1C)OCC2=CC=CC=C2
Tpsa
65.36
Logp
1.89918
H Acceptors
4
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₉N₃O₂
Molecular Weight: 273.33
Synonyms: None
SMILES: O=C(N1[C@@H](CC#N)CNC[C@@H]1C)OCC2=CC=CC=C2
Tpsa: 65.36
Logp: 1.89918
H Acceptors: 4
H Donors: 1
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:
C₁₅H₁₉N₃O₂
Molecular Weight:
273.33
Synonyms:
None
SMILES:
O=C(N1[C@@H](CC#N)CNC[C@@H]1C)OCC2=CC=CC=C2
Tpsa:
65.36
Logp:
1.89918
H Acceptors:
4
H Donors:
1
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: C₉H₁₇NO
Molecular Weight: 155.24
Synonyms: [1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methanol
SMILES: OCC1(CN2CCCC2)CC1
Tpsa: 23.47
Logp: 0.8547
H Acceptors: 2
H Donors: 1
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:
C₉H₁₇NO
Molecular Weight:
155.24
Synonyms:
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methanol
SMILES:
OCC1(CN2CCCC2)CC1
Tpsa:
23.47
Logp:
0.8547
H Acceptors:
2
H Donors:
1
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: C₁₇H₁₉N₃O₈S₂
Molecular Weight: 457.48
Synonyms: None
SMILES: O=C(N[C@]1(OC)C(N2[C@@]1(S(CC(COC(N)=O)=C2C(OC)=O)=O)[H])=O)CC3=CC=CS3
Tpsa: 154.33
Logp: -0.7975
H Acceptors: 9
H Donors: 2
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:
C₁₇H₁₉N₃O₈S₂
Molecular Weight:
457.48
Synonyms:
None
SMILES:
O=C(N[C@]1(OC)C(N2[C@@]1(S(CC(COC(N)=O)=C2C(OC)=O)=O)[H])=O)CC3=CC=CS3
Tpsa:
154.33
Logp:
-0.7975
H Acceptors:
9
H Donors:
2
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: C₉H₁₁N₃O₅S
Molecular Weight: 273.27
Synonyms: None
SMILES: O=C(O)C1=C(COC(N)=O)CS[C@](N21)([H])[C@]([H])(N)C2=O
Tpsa: 135.95
Logp: -1.3372
H Acceptors: 6
H Donors: 3
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:
C₉H₁₁N₃O₅S
Molecular Weight:
273.27
Synonyms:
None
SMILES:
O=C(O)C1=C(COC(N)=O)CS[C@](N21)([H])[C@]([H])(N)C2=O
Tpsa:
135.95
Logp:
-1.3372
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
3