CS-0438832
tert-Butyl 3-(3-amino-4-chlorophenyl)-3-cyclopropylpropanoate
Manufacturer: ChemScene
CAS Number: 1402937-10-3
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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
C₁₆H₂₂ClNO₂
Molecular Weight
295.80
Synonyms
Benzenepropanoic acid, 3-amino-4-chloro-β-cyclopropyl-, 1,1-dimethylethyl ester
SMILES
O=C(CC(C1CC1)C2=CC=C(C(N)=C2)Cl)OC(C)(C)C
Tpsa
52.32
Logp
4.1476
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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: C₁₆H₂₂ClNO₂
Molecular Weight: 295.80
Synonyms: Benzenepropanoic acid, 3-amino-4-chloro-β-cyclopropyl-, 1,1-dimethylethyl ester
SMILES: O=C(CC(C1CC1)C2=CC=C(C(N)=C2)Cl)OC(C)(C)C
Tpsa: 52.32
Logp: 4.1476
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂ClNO₂
Molecular Weight:
295.80
Synonyms:
Benzenepropanoic acid, 3-amino-4-chloro-β-cyclopropyl-, 1,1-dimethylethyl ester
SMILES:
O=C(CC(C1CC1)C2=CC=C(C(N)=C2)Cl)OC(C)(C)C
Tpsa:
52.32
Logp:
4.1476
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃N₃O
Molecular Weight: 179.22
Synonyms: 2-amino-N,N,6-trimethylpyridine-4-carboxamide
SMILES: O=C(C1=CC(N)=NC(C)=C1)N(C)C
Tpsa: 59.22
Logp: 0.67402
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃N₃O
Molecular Weight:
179.22
Synonyms:
2-amino-N,N,6-trimethylpyridine-4-carboxamide
SMILES:
O=C(C1=CC(N)=NC(C)=C1)N(C)C
Tpsa:
59.22
Logp:
0.67402
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: C₁₉H₂₆N₂O₄
Molecular Weight: 346.42
Synonyms: None
SMILES: O=C(N1CCC(C2C(NC3=C(C=CC=C3)C2O)=O)CC1)OC(C)(C)C
Tpsa: 78.87
Logp: 2.9354
H Acceptors: 4
H Donors: 2
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:
C₁₉H₂₆N₂O₄
Molecular Weight:
346.42
Synonyms:
None
SMILES:
O=C(N1CCC(C2C(NC3=C(C=CC=C3)C2O)=O)CC1)OC(C)(C)C
Tpsa:
78.87
Logp:
2.9354
H Acceptors:
4
H Donors:
2
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: C₁₈H₁₅N₄O₃+
Molecular Weight: 335.34
Synonyms: None
SMILES: O=[N+]([O-])C1=CC=C2C([C@H](N3C(CO4)=N[N+](C5=CC=CC=C5)=C3)[C@H]4C2)=C1
Tpsa: 74.07
Logp: 2.1123
H Acceptors: 5
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:
C₁₈H₁₅N₄O₃+
Molecular Weight:
335.34
Synonyms:
None
SMILES:
O=[N+]([O-])C1=CC=C2C([C@H](N3C(CO4)=N[N+](C5=CC=CC=C5)=C3)[C@H]4C2)=C1
Tpsa:
74.07
Logp:
2.1123
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2