(S)-(-)-1-아미노-1-페닐프로판

(1S)-1-phenylpropan-1-amine

HCID 6993773CAS 3789-59-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC[C@H](N)c1ccccc1
InChIKey: AQFLVLHRZFLDDV-VIFPVBQESA-N
분자식: C9H13N
평균 분자량: 135.21 g/mol
단동위원소 질량: 135.10479942

이름 및 식별자

우선 이름: (1S)-1-phenylpropan-1-amine
IUPAC: (1S)-1-phenylpropan-1-amine
현지명: (S)-(-)-1-아미노-1-페닐프로판
영어명: (S)-(-)-1-Amino-1-phenylpropane
분자식: C9H13N
분자량: 135.21

이름 및 동의어

(S)-(-)-1-Phenylpropylamine(1S)-1-phenylpropan-1-amineRefChem:393835(-)-1-phenylpropylamine455-040-5609-485-93789-59-1(S)-1-Phenylpropan-1-amine(S)-(-)-1-AMINO-1-PHENYLPROPANE(S)-1-Phenylpropylamine(S)-(-)-alpha-Ethylbenzylamine(1S)-1-phenyl-1-propanamine

이름 더 보기

(S)-(-)-1-아미노-1-페닐프로판(S)-A-ETHYLBENZYLAMINES(-)-A-ETHYLBENZYLAMINE(S)-(-)-ETHYLBENZYLAMINE(S)-(-)-PHENYLPROPYLAMINE1-Phenylpropylamine S (-),

MFCD00082356DTXSID0049288(1s)-phenylpropylamine(S)-1-phenyl-propylamine(S)-(-)-a-ethylbenzylamineTox21_202829NCGC00260375-01P1508

데이터베이스 식별자

CAS: 3789-59-1
PubChem CID: 6993773
DTXSID: DTXSID0049288
ChEMBL: CHEMBL3183068
UNII: MGD5VU2GZQ
EC Number: 455-040-5、609-485-9
Nikkaji: J57.046J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 84.7

물리화학적 성질

녹는점: -69 °C · -69°C
끓는 점: 205 °C · 205°C
밀도: 0.94 g/mL · 0.940 g/mL at 20 °C(lit.)
증기압: 26.5 Pa · 26.5Pa at 20℃
굴절률: 20 · n20/D 1.520
인화점: 77 °C · 77°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: soluble in Chloroform, Ethanol. Methanol
물리적 상태: 투명한 액체
산도 계수 (pKa): 9.34 · 9.34±0.10(Predicted)
색상: Colorless to Light yellow to Light orange
BRN: 2412016 · 2412016
InChI: 1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m0/s1
InChIKey: AQFLVLHRZFLDDV-VIFPVBQESA-N
SMILES: CC[C@H](N)c1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (98.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 107 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory InformationStatus: Active Update: 28-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12413

Hazard Classes and Categories · 2건

Acute Tox. 3 (98.1%)

Acute Tox. 4 (97.7%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 2
HS 번호: 2921490090
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-34
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도(S)-(-)-1-Amino-1-phenylpropane is used in the synthesis of a new series of L-Aspartyl-D-amino amide sweeteners. They contain a sweetness potency 2000 times that of a 10% sucrose solution. Also, a molecul ar determinant of substrate specificity for transaminases, owing to its chiral carbon.