CS-0497953
tert-Butyl (7aS)-2-benzyl-7a-(dimethylphosphoryl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxylate
Manufacturer: ChemScene
CAS Number: 2696258-10-1
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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
C₂₁H₃₃N₂O₃P
Molecular Weight
392.47
Synonyms
None
SMILES
O=C(N1CC[C@]2(P(C)(C)=O)C(CN(CC3=CC=CC=C3)C2)C1)OC(C)(C)C
Tpsa
49.85
Logp
4.1207
H Acceptors
4
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: C₂₁H₃₃N₂O₃P
Molecular Weight: 392.47
Synonyms: None
SMILES: O=C(N1CC[C@]2(P(C)(C)=O)C(CN(CC3=CC=CC=C3)C2)C1)OC(C)(C)C
Tpsa: 49.85
Logp: 4.1207
H Acceptors: 4
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:
C₂₁H₃₃N₂O₃P
Molecular Weight:
392.47
Synonyms:
None
SMILES:
O=C(N1CC[C@]2(P(C)(C)=O)C(CN(CC3=CC=CC=C3)C2)C1)OC(C)(C)C
Tpsa:
49.85
Logp:
4.1207
H Acceptors:
4
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: C₁₇H₂₄N₂O₂
Molecular Weight: 288.38
Synonyms: 3,6-Diazabicyclo[3.2.0]heptane-6-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester
SMILES: O=C(N1C2CN(CC3=CC=CC=C3)CC2C1)OC(C)(C)C
Tpsa: 32.78
Logp: 2.7377
H Acceptors: 3
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:
C₁₇H₂₄N₂O₂
Molecular Weight:
288.38
Synonyms:
3,6-Diazabicyclo[3.2.0]heptane-6-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester
SMILES:
O=C(N1C2CN(CC3=CC=CC=C3)CC2C1)OC(C)(C)C
Tpsa:
32.78
Logp:
2.7377
H Acceptors:
3
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: C₁₂H₂₂NO₃P
Molecular Weight: 259.28
Synonyms: None
SMILES: O=C(N1CC=C(P(C)(C)=O)CC1)OC(C)(C)C
Tpsa: 46.61
Logp: 3.1338
H Acceptors: 3
H Donors: 0
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:
C₁₂H₂₂NO₃P
Molecular Weight:
259.28
Synonyms:
None
SMILES:
O=C(N1CC=C(P(C)(C)=O)CC1)OC(C)(C)C
Tpsa:
46.61
Logp:
3.1338
H Acceptors:
3
H Donors:
0
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: C₉H₁₂O₃
Molecular Weight: 168.19
Synonyms: Phenol, 4-(dimethoxymethyl)-
SMILES: OC1=CC=C(C(OC)OC)C=C1
Tpsa: 38.69
Logp: 1.6836
H Acceptors: 3
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:
C₉H₁₂O₃
Molecular Weight:
168.19
Synonyms:
Phenol, 4-(dimethoxymethyl)-
SMILES:
OC1=CC=C(C(OC)OC)C=C1
Tpsa:
38.69
Logp:
1.6836
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3