Input interpretation
3-(diethylamino)-1-propanol | L-phenylalaninol
Chemical names and formulas
| 3-(diethylamino)-1-propanol | L-phenylalaninol formula | (C_2H_5)_2N(CH_2)_3OH | C_6H_5CH_2CH(NH_2)CH_2OH Hill formula | C_7H_17NO | C_9H_13NO name | 3-(diethylamino)-1-propanol | L-phenylalaninol IUPAC name | 3-diethylaminopropan-1-ol | (2S)-2-amino-3-phenylpropan-1-ol alternate names | 3-diethylaminopropan-1-ol | 3-(diethylamino)propanol | 3-(diethylamino)propyl alcohol | diethylpropanolamine | N, N-diethyl-3-hydroxypropylamine | (2S)-2-amino-3-phenyl-propan-1-ol | (2S)-2-amino-3-phenylpropan-1-ol | phenylalaninol | S-phenylalaninol mass fractions | C (carbon) 64.1% | H (hydrogen) 13.1% | N (nitrogen) 10.7% | O (oxygen) 12.2% | C (carbon) 71.5% | H (hydrogen) 8.67% | N (nitrogen) 9.26% | O (oxygen) 10.6%
Structure diagrams
| 3-(diethylamino)-1-propanol | L-phenylalaninol vertex count | 9 | 11 edge count | 9 | 14 Schultz index | 376 | 691 Wiener index | 104 | 168 Hosoya index | 52 | 166 Balaban index | 3.092 | 2.132
3D structure
3D structure
Basic properties
| 3-(diethylamino)-1-propanol | L-phenylalaninol molar mass | 131.22 g/mol | 151.21 g/mol phase | liquid (at STP) | solid (at STP) melting point | | 93 °C boiling point | 82 °C | 278 °C density | 0.884 g/cm^3 | solubility in water | very soluble | insoluble
Units
Hydrophobicity and permeability properties
| L-phenylalaninol predicted LogP hydrophobicity | 0.61 predicted LogS | -1.17
Liquid properties
| 3-(diethylamino)-1-propanol density | 0.884 g/cm^3 refractive index | 1.444
Units
Chemical identifiers
| 3-(diethylamino)-1-propanol | L-phenylalaninol CAS number | 622-93-5 | 3182-95-4 Beilstein number | | 2208238 PubChem CID number | 12159 | 447213 PubChem SID number | 24848996 | 24851436 SMILES identifier | CCN(CC)CCCO | C1=CC=C(C=C1)CC(CO)N InChI identifier | InChI=1/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H, 3-7H2, 1-2H3 | InChI=1/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5, 9, 11H, 6-7, 10H2/t9-/m0/s1 InChI key | | STVVMTBJNDTZBF-VIFPVBQEBZ RTECS number | UB1480000 | UA6900000 MDL number | MFCD00002947 | MFCD00004732
NFPA label
NFPA label
| 3-(diethylamino)-1-propanol NFPA health rating | 1 NFPA fire rating | 2 NFPA reactivity rating | 0